(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C26H31N3O3S2 — CID 167688962

About (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 167688962) has the molecular formula C26H31N3O3S2 and a molecular weight of 497.69 g/mol. Its IUPAC name is (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 167688962
• Molecular Formula: C26H31N3O3S2
• Molecular Weight: 497.69 g/mol
• Exact Mass: 497.18
• IUPAC Name: (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[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)nc1
• InChI: InChI=1S/C26H31N3O3S2/c1-5-34(31,32)22-11-10-21(27-14-22)13-28-26(30)23-12-20-16-29(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19/h6-12,14,17,24H,5,13,15-16H2,1-4H3,(H,28,30)/t24-/m1/s1
• InChIKey: JTAZUUUXVRAQIX-XMMPIXPASA-N
• XLogP: 4.89
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.69
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 167688962) is (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

What is the SMILES notation for (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The canonical SMILES for (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[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)nc1.

What is the InChIKey of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is JTAZUUUXVRAQIX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N3O3S2/c1-5-34(31,32)22-11-10-21(27-14-22)13-28-26(30)23-12-20-16-29(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19/h6-12,14,17,24H,5,13,15-16H2,1-4H3,(H,28,30)/t24-/m1/s1.

What are the key properties of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 497.69 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167688962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).