N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine

C168H188F18N26O31S11 — CID 167553991

IUPACN-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCCCNS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC(F)(F)F)c(OC)c1.COc1cc(S(=O)(=O)N2CCCCC2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)NC2C=CON2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1ccncc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.CS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC(F)(F)F)c(OCC(N)=O)c1
InChIInChI=1S/C31H36F3N5O6S2.C30H35F3N4O5S2.C28H30F3N5O6S2.C28H33F3N4O5S2.C27H29F3N4O6S2.C24H25F3N4O3S/c1-22(40)37-13-15-38(16-14-37)47(43,44)25-8-9-28(30(20-25)45-2)35-12-4-5-24-19-26-27(36-23-10-17-46(41,42)18-11-23)6-3-7-29(26)39(24)21-31(32,33)34;1-42-29-20-24(44(40,41)36-15-3-2-4-16-36)10-11-27(29)34-14-6-7-23-19-25-26(35-22-12-17-43(38,39)18-13-22)8-5-9-28(25)37(23)21-30(31,32)33;1-41-26-17-21(44(39,40)35-27-9-13-42-34-27)7-8-24(26)32-12-3-4-20-16-22-23(33-19-10-14-43(37,38)15-11-19)5-2-6-25(22)36(20)18-28(29,30)31;1-3-13-33-42(38,39)22-9-10-25(27(18-22)40-2)32-14-5-6-21-17-23-24(34-20-11-15-41(36,37)16-12-20)7-4-8-26(23)35(21)19-28(29,30)31;1-41(36,37)20-7-8-23(25(15-20)40-16-26(31)35)32-11-3-4-19-14-21-22(33-18-9-12-42(38,39)13-10-18)5-2-6-24(21)34(19)17-27(28,29)30;1-34-23-7-11-28-15-21(23)29-10-3-4-18-14-19-20(30-17-8-12-35(32,33)13-9-17)5-2-6-22(19)31(18)16-24(25,26)27/h3,6-9,19-20,23,35-36H,10-18,21H2,1-2H3;5,8-11,19-20,22,34-35H,2-4,12-18,21H2,1H3;2,5-9,13,16-17,19,27,32-35H,10-12,14-15,18H2,1H3;4,7-10,17-18,20,32-34H,3,11-16,19H2,1-2H3;2,5-8,14-15,18,32-33H,9-13,16-17H2,1H3,(H2,31,35);2,5-7,11,14-15,17,29-30H,8-10,12-13,16H2,1H3
InChIKeyCTRAQSRFAJPIIT-UHFFFAOYSA-N
MW3762.20 g/mol
LogP23.01
Rot. Bonds50

About N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine

N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 167553991) has the molecular formula C168H188F18N26O31S11 and a molecular weight of 3762.20 g/mol. Its IUPAC name is N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID167553991
Molecular FormulaC168H188F18N26O31S11
Molecular Weight3762.20 g/mol
Exact Mass3759.06
IUPAC NameN-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCCCNS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC(F)(F)F)c(OC)c1.COc1cc(S(=O)(=O)N2CCCCC2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)NC2C=CON2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1ccncc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.CS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC(F)(F)F)c(OCC(N)=O)c1
InChIInChI=1S/C31H36F3N5O6S2.C30H35F3N4O5S2.C28H30F3N5O6S2.C28H33F3N4O5S2.C27H29F3N4O6S2.C24H25F3N4O3S/c1-22(40)37-13-15-38(16-14-37)47(43,44)25-8-9-28(30(20-25)45-2)35-12-4-5-24-19-26-27(36-23-10-17-46(41,42)18-11-23)6-3-7-29(26)39(24)21-31(32,33)34;1-42-29-20-24(44(40,41)36-15-3-2-4-16-36)10-11-27(29)34-14-6-7-23-19-25-26(35-22-12-17-43(38,39)18-13-22)8-5-9-28(25)37(23)21-30(31,32)33;1-41-26-17-21(44(39,40)35-27-9-13-42-34-27)7-8-24(26)32-12-3-4-20-16-22-23(33-19-10-14-43(37,38)15-11-19)5-2-6-25(22)36(20)18-28(29,30)31;1-3-13-33-42(38,39)22-9-10-25(27(18-22)40-2)32-14-5-6-21-17-23-24(34-20-11-15-41(36,37)16-12-20)7-4-8-26(23)35(21)19-28(29,30)31;1-41(36,37)20-7-8-23(25(15-20)40-16-26(31)35)32-11-3-4-19-14-21-22(33-18-9-12-42(38,39)13-10-18)5-2-6-24(21)34(19)17-27(28,29)30;1-34-23-7-11-28-15-21(23)29-10-3-4-18-14-19-20(30-17-8-12-35(32,33)13-9-17)5-2-6-22(19)31(18)16-24(25,26)27/h3,6-9,19-20,23,35-36H,10-18,21H2,1-2H3;5,8-11,19-20,22,34-35H,2-4,12-18,21H2,1H3;2,5-9,13,16-17,19,27,32-35H,10-12,14-15,18H2,1H3;4,7-10,17-18,20,32-34H,3,11-16,19H2,1-2H3;2,5-8,14-15,18,32-33H,9-13,16-17H2,1H3,(H2,31,35);2,5-7,11,14-15,17,29-30H,8-10,12-13,16H2,1H3
InChIKeyCTRAQSRFAJPIIT-UHFFFAOYSA-N
XLogP23.01
TPSA732.95 Ų
H-Bond Donors16
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003762.20
LogP ≤ 523.01
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 167553991) is N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine is CCCNS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC(F)(F)F)c(OC)c1.COc1cc(S(=O)(=O)N2CCCCC2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)NC2C=CON2)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1ccncc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.CS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC(F)(F)F)c(OCC(N)=O)c1.
What is the InChIKey of N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is CTRAQSRFAJPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N5O6S2.C30H35F3N4O5S2.C28H30F3N5O6S2.C28H33F3N4O5S2.C27H29F3N4O6S2.C24H25F3N4O3S/c1-22(40)37-13-15-38(16-14-37)47(43,44)25-8-9-28(30(20-25)45-2)35-12-4-5-24-19-26-27(36-23-10-17-46(41,42)18-11-23)6-3-7-29(26)39(24)21-31(32,33)34;1-42-29-20-24(44(40,41)36-15-3-2-4-16-36)10-11-27(29)34-14-6-7-23-19-25-26(35-22-12-17-43(38,39)18-13-22)8-5-9-28(25)37(23)21-30(31,32)33;1-41-26-17-21(44(39,40)35-27-9-13-42-34-27)7-8-24(26)32-12-3-4-20-16-22-23(33-19-10-14-43(37,38)15-11-19)5-2-6-25(22)36(20)18-28(29,30)31;1-3-13-33-42(38,39)22-9-10-25(27(18-22)40-2)32-14-5-6-21-17-23-24(34-20-11-15-41(36,37)16-12-20)7-4-8-26(23)35(21)19-28(29,30)31;1-41(36,37)20-7-8-23(25(15-20)40-16-26(31)35)32-11-3-4-19-14-21-22(33-18-9-12-42(38,39)13-10-18)5-2-6-24(21)34(19)17-27(28,29)30;1-34-23-7-11-28-15-21(23)29-10-3-4-18-14-19-20(30-17-8-12-35(32,33)13-9-17)5-2-6-22(19)31(18)16-24(25,26)27/h3,6-9,19-20,23,35-36H,10-18,21H2,1-2H3;5,8-11,19-20,22,34-35H,2-4,12-18,21H2,1H3;2,5-9,13,16-17,19,27,32-35H,10-12,14-15,18H2,1H3;4,7-10,17-18,20,32-34H,3,11-16,19H2,1-2H3;2,5-8,14-15,18,32-33H,9-13,16-17H2,1H3,(H2,31,35);2,5-7,11,14-15,17,29-30H,8-10,12-13,16H2,1H3.
What are the key properties of N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 3762.20 g/mol, XLogP of 23.01, 50 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,2-oxazol-3-yl)-4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;1-[4-[4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]sulfonylpiperazin-1-yl]ethanone;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propylbenzenesulfonamide;2-[2-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-5-methylsulfonylphenoxy]acetamide;N-(1,1-dioxothian-4-yl)-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine;N-(1,1-dioxothian-4-yl)-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 167553991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).