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

C27H36N2O2S — CID 3466399

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

3-cyclopentyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide (PubChem CID 3466399) has the molecular formula C27H36N2O2S and a molecular weight of 452.66 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4-(2-methylphenyl)-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-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
• PubChem CID: 3466399
• Molecular Formula: C27H36N2O2S
• Molecular Weight: 452.66 g/mol
• Exact Mass: 452.25
• IUPAC Name: 3-cyclopentyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
• SMILES: Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C(=O)CCC1CCCC1)C(C)C
• InChI: InChI=1S/C27H36N2O2S/c1-19(2)29(25(30)13-12-21-9-5-6-10-21)18-26(31)28-16-14-24-23(15-17-32-24)27(28)22-11-7-4-8-20(22)3/h4,7-8,11,15,17,19,21,27H,5-6,9-10,12-14,16,18H2,1-3H3
• InChIKey: ABPXHDBDZWWPDW-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.66
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4-(2-methylphenyl)-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-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide (CID 3466399) is 3-cyclopentyl-N-[2-[4-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C(=O)CCC1CCCC1)C(C)C.

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

The InChIKey is ABPXHDBDZWWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2S/c1-19(2)29(25(30)13-12-21-9-5-6-10-21)18-26(31)28-16-14-24-23(15-17-32-24)27(28)22-11-7-4-8-20(22)3/h4,7-8,11,15,17,19,21,27H,5-6,9-10,12-14,16,18H2,1-3H3.

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

3-cyclopentyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide has a molecular weight of 452.66 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 3466399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).