N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide

C24H20N2O3S — CID 162493581

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 162493581) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 162493581
• Molecular Formula: C24H20N2O3S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.12
• IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide
• SMILES: COc1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3ccccc3)nccc12
• InChI: InChI=1S/C24H20N2O3S/c1-28-21-17-11-13-25-20(15-7-3-2-4-8-15)22(17)30-23(21)24(27)26-18-12-14-29-19-10-6-5-9-16(18)19/h2-11,13,18H,12,14H2,1H3,(H,26,27)/t18-/m0/s1
• InChIKey: HCAZUYKVAMOQCV-SFHVURJKSA-N
• XLogP: 5.23
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide (CID 162493581) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide is COc1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3ccccc3)nccc12.

What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is HCAZUYKVAMOQCV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-28-21-17-11-13-25-20(15-7-3-2-4-8-15)22(17)30-23(21)24(27)26-18-12-14-29-19-10-6-5-9-16(18)19/h2-11,13,18H,12,14H2,1H3,(H,26,27)/t18-/m0/s1.

What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide?

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162493581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).