7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

C26H30N2O2S — CID 155138721

About 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155138721) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 155138721
• Molecular Formula: C26H30N2O2S
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.20
• IUPAC Name: 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
• SMILES: CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3CCCCC3)ccnc12
• InChI: InChI=1S/C26H30N2O2S/c1-16(2)22-23-24(18(12-14-27-23)17-8-4-3-5-9-17)31-25(22)26(29)28-20-13-15-30-21-11-7-6-10-19(20)21/h6-7,10-12,14,16-17,20H,3-5,8-9,13,15H2,1-2H3,(H,28,29)/t20-/m0/s1
• InChIKey: XORVRCUTLBGLIV-FQEVSTJZSA-N
• XLogP: 6.72
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155138721) is 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3CCCCC3)ccnc12.

What is the InChIKey of 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is XORVRCUTLBGLIV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-16(2)22-23-24(18(12-14-27-23)17-8-4-3-5-9-17)31-25(22)26(29)28-20-13-15-30-21-11-7-6-10-19(20)21/h6-7,10-12,14,16-17,20H,3-5,8-9,13,15H2,1-2H3,(H,28,29)/t20-/m0/s1.

What are the key properties of 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155138721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).