4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide

C309H335F4N29O30S17 — CID 158572103

IUPAC4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide
SMILESC.C.C.C.C.C.C.C.CC1(C)CCN(c2ccc(C(=O)NCc3ccc(CN(CCSc4ccccc4)Cc4ccc(S(N)(=O)=O)cc4)cc3)cc2)CC1.COc1ccccc1-c1ccc(C(=O)NCc2ccc(CN(CCSc3ccccc3)Cc3ccc(S(N)(=O)=O)cc3)cc2)cc1.Cn1cc(C(=O)C2CCCCC2)c2cc(C(=O)NCc3ccc(CN(CCSc4ccccc4)Cc4ccc(S(N)(=O)=O)cc4)cc3)ccc21.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)CC3Sc4ccccc4CC3=O)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)CCCN3C(=O)C(c4ccc(F)cc4F)=C(c4ccc(F)cc4F)C3=O)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)Cn3c4ccccc4c4ccccc43)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4oc(-c5ccccc5)cc4c3)cc2)cc1
InChIInChI=1S/C43H38F4N4O5S2.C40H44N4O4S2.C38H35N3O4S2.C37H36N4O3S2.C37H44N4O3S2.C37H37N3O4S2.C35H34N4O3S2.C34H35N3O4S3.8CH4/c44-31-14-18-35(37(46)23-31)40-41(36-19-15-32(45)24-38(36)47)43(54)51(42(40)53)20-4-7-39(52)49-25-28-8-10-29(11-9-28)26-50(21-22-57-33-5-2-1-3-6-33)27-30-12-16-34(17-13-30)58(48,55)56;1-43-28-37(39(45)32-8-4-2-5-9-32)36-24-33(18-21-38(36)43)40(46)42-25-29-12-14-30(15-13-29)26-44(22-23-49-34-10-6-3-7-11-34)27-31-16-19-35(20-17-31)50(41,47)48;39-47(43,44)35-18-15-30(16-19-35)27-41(21-22-46-34-9-5-2-6-10-34)26-29-13-11-28(12-14-29)25-40-38(42)32-17-20-36-33(23-32)24-37(45-36)31-7-3-1-4-8-31;38-46(43,44)32-20-18-30(19-21-32)26-40(22-23-45-31-8-2-1-3-9-31)25-29-16-14-28(15-17-29)24-39-37(42)27-41-35-12-6-4-10-33(35)34-11-5-7-13-36(34)41;1-37(2)20-22-41(23-21-37)33-16-14-32(15-17-33)36(42)39-26-29-8-10-30(11-9-29)27-40(24-25-45-34-6-4-3-5-7-34)28-31-12-18-35(19-13-31)46(38,43)44;1-44-36-10-6-5-9-35(36)31-17-19-32(20-18-31)37(41)39-25-28-11-13-29(14-12-28)26-40(23-24-45-33-7-3-2-4-8-33)27-30-15-21-34(22-16-30)46(38,42)43;36-44(41,42)33-19-13-29(14-20-33)26-39(22-23-43-32-6-2-1-3-7-32)25-28-11-9-27(10-12-28)24-38-35(40)31-17-15-30(16-18-31)34-8-4-5-21-37-34;35-44(40,41)30-16-14-27(15-17-30)24-37(18-19-42-29-7-2-1-3-8-29)23-26-12-10-25(11-13-26)22-36-34(39)21-33-31(38)20-28-6-4-5-9-32(28)43-33;;;;;;;;/h1-3,5-6,8-19,23-24H,4,7,20-22,25-27H2,(H,49,52)(H2,48,55,56);3,6-7,10-21,24,28,32H,2,4-5,8-9,22-23,25-27H2,1H3,(H,42,46)(H2,41,47,48);1-20,23-24H,21-22,25-27H2,(H,40,42)(H2,39,43,44);1-21H,22-27H2,(H,39,42)(H2,38,43,44);3-19H,20-28H2,1-2H3,(H,39,42)(H2,38,43,44);2-22H,23-27H2,1H3,(H,39,41)(H2,38,42,43);1-21H,22-26H2,(H,38,40)(H2,36,41,42);1-17,33H,18-24H2,(H,36,39)(H2,35,40,41);8*1H4
InChIKeyHSEZYCHRSRGJLP-UHFFFAOYSA-N
MW5556.38 g/mol
LogP58.45
Rot. Bonds110

About 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide

4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide (PubChem CID 158572103) has the molecular formula C309H335F4N29O30S17 and a molecular weight of 5556.38 g/mol. Its IUPAC name is 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide
PubChem CID158572103
Molecular FormulaC309H335F4N29O30S17
Molecular Weight5556.38 g/mol
Exact Mass5551.08
IUPAC Name4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide
SMILESC.C.C.C.C.C.C.C.CC1(C)CCN(c2ccc(C(=O)NCc3ccc(CN(CCSc4ccccc4)Cc4ccc(S(N)(=O)=O)cc4)cc3)cc2)CC1.COc1ccccc1-c1ccc(C(=O)NCc2ccc(CN(CCSc3ccccc3)Cc3ccc(S(N)(=O)=O)cc3)cc2)cc1.Cn1cc(C(=O)C2CCCCC2)c2cc(C(=O)NCc3ccc(CN(CCSc4ccccc4)Cc4ccc(S(N)(=O)=O)cc4)cc3)ccc21.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)CC3Sc4ccccc4CC3=O)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)CCCN3C(=O)C(c4ccc(F)cc4F)=C(c4ccc(F)cc4F)C3=O)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)Cn3c4ccccc4c4ccccc43)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4oc(-c5ccccc5)cc4c3)cc2)cc1
InChIInChI=1S/C43H38F4N4O5S2.C40H44N4O4S2.C38H35N3O4S2.C37H36N4O3S2.C37H44N4O3S2.C37H37N3O4S2.C35H34N4O3S2.C34H35N3O4S3.8CH4/c44-31-14-18-35(37(46)23-31)40-41(36-19-15-32(45)24-38(36)47)43(54)51(42(40)53)20-4-7-39(52)49-25-28-8-10-29(11-9-28)26-50(21-22-57-33-5-2-1-3-6-33)27-30-12-16-34(17-13-30)58(48,55)56;1-43-28-37(39(45)32-8-4-2-5-9-32)36-24-33(18-21-38(36)43)40(46)42-25-29-12-14-30(15-13-29)26-44(22-23-49-34-10-6-3-7-11-34)27-31-16-19-35(20-17-31)50(41,47)48;39-47(43,44)35-18-15-30(16-19-35)27-41(21-22-46-34-9-5-2-6-10-34)26-29-13-11-28(12-14-29)25-40-38(42)32-17-20-36-33(23-32)24-37(45-36)31-7-3-1-4-8-31;38-46(43,44)32-20-18-30(19-21-32)26-40(22-23-45-31-8-2-1-3-9-31)25-29-16-14-28(15-17-29)24-39-37(42)27-41-35-12-6-4-10-33(35)34-11-5-7-13-36(34)41;1-37(2)20-22-41(23-21-37)33-16-14-32(15-17-33)36(42)39-26-29-8-10-30(11-9-29)27-40(24-25-45-34-6-4-3-5-7-34)28-31-12-18-35(19-13-31)46(38,43)44;1-44-36-10-6-5-9-35(36)31-17-19-32(20-18-31)37(41)39-25-28-11-13-29(14-12-28)26-40(23-24-45-33-7-3-2-4-8-33)27-30-15-21-34(22-16-30)46(38,42)43;36-44(41,42)33-19-13-29(14-20-33)26-39(22-23-43-32-6-2-1-3-7-32)25-28-11-9-27(10-12-28)24-38-35(40)31-17-15-30(16-18-31)34-8-4-5-21-37-34;35-44(40,41)30-16-14-27(15-17-30)24-37(18-19-42-29-7-2-1-3-8-29)23-26-12-10-25(11-13-26)22-36-34(39)21-33-31(38)20-28-6-4-5-9-32(28)43-33;;;;;;;;/h1-3,5-6,8-19,23-24H,4,7,20-22,25-27H2,(H,49,52)(H2,48,55,56);3,6-7,10-21,24,28,32H,2,4-5,8-9,22-23,25-27H2,1H3,(H,42,46)(H2,41,47,48);1-20,23-24H,21-22,25-27H2,(H,40,42)(H2,39,43,44);1-21H,22-27H2,(H,39,42)(H2,38,43,44);3-19H,20-28H2,1-2H3,(H,39,42)(H2,38,43,44);2-22H,23-27H2,1H3,(H,39,41)(H2,38,42,43);1-21H,22-26H2,(H,38,40)(H2,36,41,42);1-17,33H,18-24H2,(H,36,39)(H2,35,40,41);8*1H4
InChIKeyHSEZYCHRSRGJLP-UHFFFAOYSA-N
XLogP58.45
TPSA859.88 Ų
H-Bond Donors16
H-Bond Acceptors51
Rotatable Bonds110
Heavy Atoms389
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005556.38
LogP ≤ 558.45
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1051

Analyze 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide (CID 158572103) is 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide is C.C.C.C.C.C.C.C.CC1(C)CCN(c2ccc(C(=O)NCc3ccc(CN(CCSc4ccccc4)Cc4ccc(S(N)(=O)=O)cc4)cc3)cc2)CC1.COc1ccccc1-c1ccc(C(=O)NCc2ccc(CN(CCSc3ccccc3)Cc3ccc(S(N)(=O)=O)cc3)cc2)cc1.Cn1cc(C(=O)C2CCCCC2)c2cc(C(=O)NCc3ccc(CN(CCSc4ccccc4)Cc4ccc(S(N)(=O)=O)cc4)cc3)ccc21.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)CC3Sc4ccccc4CC3=O)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)CCCN3C(=O)C(c4ccc(F)cc4F)=C(c4ccc(F)cc4F)C3=O)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)Cn3c4ccccc4c4ccccc43)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)cc1.NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4oc(-c5ccccc5)cc4c3)cc2)cc1.
What is the InChIKey of 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
The InChIKey is HSEZYCHRSRGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38F4N4O5S2.C40H44N4O4S2.C38H35N3O4S2.C37H36N4O3S2.C37H44N4O3S2.C37H37N3O4S2.C35H34N4O3S2.C34H35N3O4S3.8CH4/c44-31-14-18-35(37(46)23-31)40-41(36-19-15-32(45)24-38(36)47)43(54)51(42(40)53)20-4-7-39(52)49-25-28-8-10-29(11-9-28)26-50(21-22-57-33-5-2-1-3-6-33)27-30-12-16-34(17-13-30)58(48,55)56;1-43-28-37(39(45)32-8-4-2-5-9-32)36-24-33(18-21-38(36)43)40(46)42-25-29-12-14-30(15-13-29)26-44(22-23-49-34-10-6-3-7-11-34)27-31-16-19-35(20-17-31)50(41,47)48;39-47(43,44)35-18-15-30(16-19-35)27-41(21-22-46-34-9-5-2-6-10-34)26-29-13-11-28(12-14-29)25-40-38(42)32-17-20-36-33(23-32)24-37(45-36)31-7-3-1-4-8-31;38-46(43,44)32-20-18-30(19-21-32)26-40(22-23-45-31-8-2-1-3-9-31)25-29-16-14-28(15-17-29)24-39-37(42)27-41-35-12-6-4-10-33(35)34-11-5-7-13-36(34)41;1-37(2)20-22-41(23-21-37)33-16-14-32(15-17-33)36(42)39-26-29-8-10-30(11-9-29)27-40(24-25-45-34-6-4-3-5-7-34)28-31-12-18-35(19-13-31)46(38,43)44;1-44-36-10-6-5-9-35(36)31-17-19-32(20-18-31)37(41)39-25-28-11-13-29(14-12-28)26-40(23-24-45-33-7-3-2-4-8-33)27-30-15-21-34(22-16-30)46(38,42)43;36-44(41,42)33-19-13-29(14-20-33)26-39(22-23-43-32-6-2-1-3-7-32)25-28-11-9-27(10-12-28)24-38-35(40)31-17-15-30(16-18-31)34-8-4-5-21-37-34;35-44(40,41)30-16-14-27(15-17-30)24-37(18-19-42-29-7-2-1-3-8-29)23-26-12-10-25(11-13-26)22-36-34(39)21-33-31(38)20-28-6-4-5-9-32(28)43-33;;;;;;;;/h1-3,5-6,8-19,23-24H,4,7,20-22,25-27H2,(H,49,52)(H2,48,55,56);3,6-7,10-21,24,28,32H,2,4-5,8-9,22-23,25-27H2,1H3,(H,42,46)(H2,41,47,48);1-20,23-24H,21-22,25-27H2,(H,40,42)(H2,39,43,44);1-21H,22-27H2,(H,39,42)(H2,38,43,44);3-19H,20-28H2,1-2H3,(H,39,42)(H2,38,43,44);2-22H,23-27H2,1H3,(H,39,41)(H2,38,42,43);1-21H,22-26H2,(H,38,40)(H2,36,41,42);1-17,33H,18-24H2,(H,36,39)(H2,35,40,41);8*1H4.
What are the key properties of 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide has a molecular weight of 5556.38 g/mol, XLogP of 58.45, 110 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]butanamide;2-carbazol-9-yl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;3-(cyclohexanecarbonyl)-1-methyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]indole-5-carboxamide;4-(4,4-dimethylpiperidin-1-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;methane;4-(2-methoxyphenyl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]benzamide;2-(3-oxo-4H-thiochromen-2-yl)-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]acetamide;2-phenyl-N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-1-benzofuran-5-carboxamide;N-[[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 158572103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).