3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide

C27H36N2O3S — CID 4038046

About 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide

3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide (PubChem CID 4038046) has the molecular formula C27H36N2O3S and a molecular weight of 468.66 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
• PubChem CID: 4038046
• Molecular Formula: C27H36N2O3S
• Molecular Weight: 468.66 g/mol
• Exact Mass: 468.24
• IUPAC Name: 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
• SMILES: COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)CCC2CCCC2)C(C)C)cc1
• InChI: InChI=1S/C27H36N2O3S/c1-19(2)29(25(30)13-8-20-6-4-5-7-20)18-26(31)28-16-14-24-23(15-17-33-24)27(28)21-9-11-22(32-3)12-10-21/h9-12,15,17,19-20,27H,4-8,13-14,16,18H2,1-3H3
• InChIKey: IIQAAWKHERPAQT-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.66
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

The IUPAC name of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide (CID 4038046) is 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide.

What is the SMILES notation for 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

The canonical SMILES for 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide is COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)CCC2CCCC2)C(C)C)cc1.

What is the InChIKey of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

The InChIKey is IIQAAWKHERPAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3S/c1-19(2)29(25(30)13-8-20-6-4-5-7-20)18-26(31)28-16-14-24-23(15-17-33-24)27(28)21-9-11-22(32-3)12-10-21/h9-12,15,17,19-20,27H,4-8,13-14,16,18H2,1-3H3.

What are the key properties of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide has a molecular weight of 468.66 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 4038046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).