N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate

C233H369N41O45S14Si2 — CID 159221248

IUPACN-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ncnn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2=CSNN2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(CCCC(=O)O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N(CCO)CCO)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COC(=O)CCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.Cc1csc(-c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)n1
InChIInChI=1S/C31H61N3O5SSi2.C21H29N3O3S.C20H32N4O4S.C20H32N2O5S.C19H33N3O5S.C19H27N3O3S2.C19H30N2O5S.C18H26N4O3S.C17H26N4O3S2.C17H25N3O3S.C16H24N6O3S.C16H24N4O3S/c1-29(2,3)40(36,37)32-21-15-14-16-28(35)33-26-17-19-27(20-18-26)34(22-24-38-41(10,11)30(4,5)6)23-25-39-42(12,13)31(7,8)9;1-21(2,3)28(26,27)22-16-8-7-11-20(25)24-19-14-12-18(13-15-19)23-17-9-5-4-6-10-17;1-20(2,3)29(27,28)22-13-5-4-8-18(25)23-15-9-11-16(12-10-15)24-14-6-7-17(24)19(21)26;1-20(2,3)28(25,26)21-15-6-5-9-18(23)22-17-13-11-16(12-14-17)8-7-10-19(24)27-4;1-19(2,3)28(26,27)20-11-5-4-6-18(25)21-16-7-9-17(10-8-16)22(12-14-23)13-15-24;1-14-13-26-18(21-14)15-8-10-16(11-9-15)22-17(23)7-5-6-12-20-27(24,25)19(2,3)4;1-19(2,3)27(25,26)20-14-5-4-8-17(22)21-16-12-10-15(11-13-16)7-6-9-18(23)24;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22;1-17(2,3)26(23,24)18-11-5-4-6-16(22)19-14-9-7-13(8-10-14)15-12-25-21-20-15;1-17(2,3)24(22,23)19-10-5-4-6-16(21)20-14-7-8-15-13(12-14)9-11-18-15;1-16(2,3)26(24,25)19-11-5-4-6-15(23)20-13-7-9-14(10-8-13)22-18-12-17-21-22;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h17-20,32H,14-16,21-25H2,1-13H3,(H,33,35);4-6,9-10,12-15,22-23H,7-8,11,16H2,1-3H3,(H,24,25);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);11-14,21H,5-10,15H2,1-4H3,(H,22,23);7-10,20,23-24H,4-6,11-15H2,1-3H3,(H,21,25);8-11,13,20H,5-7,12H2,1-4H3,(H,22,23);10-13,20H,4-9,14H2,1-3H3,(H,21,22)(H,23,24);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23);7-10,12,18,20-21H,4-6,11H2,1-3H3,(H,19,22);7-9,11-12,18-19H,4-6,10H2,1-3H3,(H,20,21);7-10,12,19H,4-6,11H2,1-3H3,(H,20,23);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;;17-;;;;;;;;;/m..0........./s1
InChIKeyKRSDDXPHFJMAIW-YNBDQOHFSA-N
MW4969.87 g/mol
LogP36.91
Rot. Bonds114

About N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate

N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate (PubChem CID 159221248) has the molecular formula C233H369N41O45S14Si2 and a molecular weight of 4969.87 g/mol. Its IUPAC name is N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate.

Molecular Properties

Compound NameN-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate
PubChem CID159221248
Molecular FormulaC233H369N41O45S14Si2
Molecular Weight4969.87 g/mol
Exact Mass4965.35
IUPAC NameN-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ncnn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2=CSNN2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(CCCC(=O)O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N(CCO)CCO)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COC(=O)CCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.Cc1csc(-c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)n1
InChIInChI=1S/C31H61N3O5SSi2.C21H29N3O3S.C20H32N4O4S.C20H32N2O5S.C19H33N3O5S.C19H27N3O3S2.C19H30N2O5S.C18H26N4O3S.C17H26N4O3S2.C17H25N3O3S.C16H24N6O3S.C16H24N4O3S/c1-29(2,3)40(36,37)32-21-15-14-16-28(35)33-26-17-19-27(20-18-26)34(22-24-38-41(10,11)30(4,5)6)23-25-39-42(12,13)31(7,8)9;1-21(2,3)28(26,27)22-16-8-7-11-20(25)24-19-14-12-18(13-15-19)23-17-9-5-4-6-10-17;1-20(2,3)29(27,28)22-13-5-4-8-18(25)23-15-9-11-16(12-10-15)24-14-6-7-17(24)19(21)26;1-20(2,3)28(25,26)21-15-6-5-9-18(23)22-17-13-11-16(12-14-17)8-7-10-19(24)27-4;1-19(2,3)28(26,27)20-11-5-4-6-18(25)21-16-7-9-17(10-8-16)22(12-14-23)13-15-24;1-14-13-26-18(21-14)15-8-10-16(11-9-15)22-17(23)7-5-6-12-20-27(24,25)19(2,3)4;1-19(2,3)27(25,26)20-14-5-4-8-17(22)21-16-12-10-15(11-13-16)7-6-9-18(23)24;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22;1-17(2,3)26(23,24)18-11-5-4-6-16(22)19-14-9-7-13(8-10-14)15-12-25-21-20-15;1-17(2,3)24(22,23)19-10-5-4-6-16(21)20-14-7-8-15-13(12-14)9-11-18-15;1-16(2,3)26(24,25)19-11-5-4-6-15(23)20-13-7-9-14(10-8-13)22-18-12-17-21-22;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h17-20,32H,14-16,21-25H2,1-13H3,(H,33,35);4-6,9-10,12-15,22-23H,7-8,11,16H2,1-3H3,(H,24,25);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);11-14,21H,5-10,15H2,1-4H3,(H,22,23);7-10,20,23-24H,4-6,11-15H2,1-3H3,(H,21,25);8-11,13,20H,5-7,12H2,1-4H3,(H,22,23);10-13,20H,4-9,14H2,1-3H3,(H,21,22)(H,23,24);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23);7-10,12,18,20-21H,4-6,11H2,1-3H3,(H,19,22);7-9,11-12,18-19H,4-6,10H2,1-3H3,(H,20,21);7-10,12,19H,4-6,11H2,1-3H3,(H,20,23);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;;17-;;;;;;;;;/m..0........./s1
InChIKeyKRSDDXPHFJMAIW-YNBDQOHFSA-N
XLogP36.91
TPSA1233.44 Ų
H-Bond Donors33
H-Bond Acceptors60
Rotatable Bonds114
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004969.87
LogP ≤ 536.91
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1060

Analyze N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate?
The IUPAC name of N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate (CID 159221248) is N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate.
What is the SMILES notation for N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate?
The canonical SMILES for N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ncnn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2=CSNN2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(CCCC(=O)O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N(CCO)CCO)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COC(=O)CCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.Cc1csc(-c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate?
The InChIKey is KRSDDXPHFJMAIW-YNBDQOHFSA-N. The full InChI is InChI=1S/C31H61N3O5SSi2.C21H29N3O3S.C20H32N4O4S.C20H32N2O5S.C19H33N3O5S.C19H27N3O3S2.C19H30N2O5S.C18H26N4O3S.C17H26N4O3S2.C17H25N3O3S.C16H24N6O3S.C16H24N4O3S/c1-29(2,3)40(36,37)32-21-15-14-16-28(35)33-26-17-19-27(20-18-26)34(22-24-38-41(10,11)30(4,5)6)23-25-39-42(12,13)31(7,8)9;1-21(2,3)28(26,27)22-16-8-7-11-20(25)24-19-14-12-18(13-15-19)23-17-9-5-4-6-10-17;1-20(2,3)29(27,28)22-13-5-4-8-18(25)23-15-9-11-16(12-10-15)24-14-6-7-17(24)19(21)26;1-20(2,3)28(25,26)21-15-6-5-9-18(23)22-17-13-11-16(12-14-17)8-7-10-19(24)27-4;1-19(2,3)28(26,27)20-11-5-4-6-18(25)21-16-7-9-17(10-8-16)22(12-14-23)13-15-24;1-14-13-26-18(21-14)15-8-10-16(11-9-15)22-17(23)7-5-6-12-20-27(24,25)19(2,3)4;1-19(2,3)27(25,26)20-14-5-4-8-17(22)21-16-12-10-15(11-13-16)7-6-9-18(23)24;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22;1-17(2,3)26(23,24)18-11-5-4-6-16(22)19-14-9-7-13(8-10-14)15-12-25-21-20-15;1-17(2,3)24(22,23)19-10-5-4-6-16(21)20-14-7-8-15-13(12-14)9-11-18-15;1-16(2,3)26(24,25)19-11-5-4-6-15(23)20-13-7-9-14(10-8-13)22-18-12-17-21-22;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h17-20,32H,14-16,21-25H2,1-13H3,(H,33,35);4-6,9-10,12-15,22-23H,7-8,11,16H2,1-3H3,(H,24,25);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);11-14,21H,5-10,15H2,1-4H3,(H,22,23);7-10,20,23-24H,4-6,11-15H2,1-3H3,(H,21,25);8-11,13,20H,5-7,12H2,1-4H3,(H,22,23);10-13,20H,4-9,14H2,1-3H3,(H,21,22)(H,23,24);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23);7-10,12,18,20-21H,4-6,11H2,1-3H3,(H,19,22);7-9,11-12,18-19H,4-6,10H2,1-3H3,(H,20,21);7-10,12,19H,4-6,11H2,1-3H3,(H,20,23);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;;17-;;;;;;;;;/m..0........./s1.
What are the key properties of N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate?
N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate has a molecular weight of 4969.87 g/mol, XLogP of 36.91, 114 rotatable bonds, 33 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;N-[4-[bis(2-hydroxyethyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pentanamide;4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoic acid;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]pentanamide;methyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]butanoate is sourced from PubChem (CID 159221248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).