(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide

C26H35N3O4S2 — CID 167702195

About (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide

(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 167702195) has the molecular formula C26H35N3O4S2 and a molecular weight of 517.72 g/mol. Its IUPAC name is (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 167702195
• Molecular Formula: C26H35N3O4S2
• Molecular Weight: 517.72 g/mol
• Exact Mass: 517.21
• IUPAC Name: (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide
• SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3=O)nc1
• InChI: InChI=1S/C26H35N3O4S2/c1-5-35(32,33)20-11-10-19(27-14-20)13-28-25(30)22-12-21-24(34-22)23(16(2)3)29(26(21)31)15-18-8-6-17(4)7-9-18/h10-12,14,16-18,23H,5-9,13,15H2,1-4H3,(H,28,30)/t17?,18?,23-/m0/s1
• InChIKey: YVEPQUZTSIHDIJ-KXXGJQBSSA-N
• XLogP: 4.85
• TPSA: 96.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.72
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide (CID 167702195) is (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide.

What is the SMILES notation for (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide?

The canonical SMILES for (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3=O)nc1.

What is the InChIKey of (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is YVEPQUZTSIHDIJ-KXXGJQBSSA-N. The full InChI is InChI=1S/C26H35N3O4S2/c1-5-35(32,33)20-11-10-19(27-14-20)13-28-25(30)22-12-21-24(34-22)23(16(2)3)29(26(21)31)15-18-8-6-17(4)7-9-18/h10-12,14,16-18,23H,5-9,13,15H2,1-4H3,(H,28,30)/t17?,18?,23-/m0/s1.

What are the key properties of (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide?

(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 517.72 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167702195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).