N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane

C139H157N17O16S — CID 162054918

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane (PubChem CID 162054918) has the molecular formula C139H157N17O16S and a molecular weight of 2353.95 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane
• PubChem CID: 162054918
• Molecular Formula: C139H157N17O16S
• Molecular Weight: 2353.95 g/mol
• Exact Mass: 2352.17
• IUPAC Name: N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane
• SMILES: CC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCC1.CCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)C1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.CN(C)CC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCC1.S
• InChI: InChI=1S/2C29H34N4O3.C28H31N3O3.C27H29N3O4.C26H27N3O3.H2S/c1-33(2)29(14-3-4-15-29)20-31-27(35)25-7-5-6-24(18-25)26(19-34)32-28(36)23-10-8-21(9-11-23)22-12-16-30-17-13-22;1-33(2)20-29(14-3-4-15-29)32-28(36)25-7-5-6-24(18-25)26(19-34)31-27(35)23-10-8-21(9-11-23)22-12-16-30-17-13-22;1-2-19-10-11-21(20-12-14-29-15-13-20)17-25(19)28(34)31-26(18-32)22-6-5-7-23(16-22)27(33)30-24-8-3-4-9-24;1-34-27(12-3-13-27)18-29-25(32)23-5-2-4-22(16-23)24(17-31)30-26(33)21-8-6-19(7-9-21)20-10-14-28-15-11-20;1-26(12-3-13-26)29-25(32)22-5-2-4-21(16-22)23(17-30)28-24(31)20-8-6-18(7-9-20)19-10-14-27-15-11-19;/h2*5-13,16-18,26,34H,3-4,14-15,19-20H2,1-2H3,(H,31,35)(H,32,36);5-7,10-17,24,26,32H,2-4,8-9,18H2,1H3,(H,30,33)(H,31,34);2,4-11,14-16,24,31H,3,12-13,17-18H2,1H3,(H,29,32)(H,30,33);2,4-11,14-16,23,30H,3,12-13,17H2,1H3,(H,28,31)(H,29,32);1H2/t3*26-;24-;23-;/m11111./s1
• InChIKey: YZAWVTAGCZZBAK-LDWKZYCJSA-N
• XLogP: 19.59
• TPSA: 472.31 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 42
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.95
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane?

The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane (CID 162054918) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane.

What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane?

The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane is CC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCC1.CCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)C1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.CN(C)CC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCC1.S.

What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane?

The InChIKey is YZAWVTAGCZZBAK-LDWKZYCJSA-N. The full InChI is InChI=1S/2C29H34N4O3.C28H31N3O3.C27H29N3O4.C26H27N3O3.H2S/c1-33(2)29(14-3-4-15-29)20-31-27(35)25-7-5-6-24(18-25)26(19-34)32-28(36)23-10-8-21(9-11-23)22-12-16-30-17-13-22;1-33(2)20-29(14-3-4-15-29)32-28(36)25-7-5-6-24(18-25)26(19-34)31-27(35)23-10-8-21(9-11-23)22-12-16-30-17-13-22;1-2-19-10-11-21(20-12-14-29-15-13-20)17-25(19)28(34)31-26(18-32)22-6-5-7-23(16-22)27(33)30-24-8-3-4-9-24;1-34-27(12-3-13-27)18-29-25(32)23-5-2-4-22(16-23)24(17-31)30-26(33)21-8-6-19(7-9-21)20-10-14-28-15-11-20;1-26(12-3-13-26)29-25(32)22-5-2-4-21(16-22)23(17-30)28-24(31)20-8-6-18(7-9-20)19-10-14-27-15-11-19;/h2*5-13,16-18,26,34H,3-4,14-15,19-20H2,1-2H3,(H,31,35)(H,32,36);5-7,10-17,24,26,32H,2-4,8-9,18H2,1H3,(H,30,33)(H,31,34);2,4-11,14-16,24,31H,3,12-13,17-18H2,1H3,(H,29,32)(H,30,33);2,4-11,14-16,23,30H,3,12-13,17H2,1H3,(H,28,31)(H,29,32);1H2/t3*26-;24-;23-;/m11111./s1.

What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane?

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane has a molecular weight of 2353.95 g/mol, XLogP of 19.59, 42 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[(dimethylamino)methyl]cyclopentyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclobutyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylcyclobutyl)benzamide;sulfane is sourced from PubChem (CID 162054918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).