N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide

C24H29ClN2O3S — CID 3427665

About N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide

N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide (PubChem CID 3427665) has the molecular formula C24H29ClN2O3S and a molecular weight of 461.03 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide
• PubChem CID: 3427665
• Molecular Formula: C24H29ClN2O3S
• Molecular Weight: 461.03 g/mol
• Exact Mass: 460.16
• IUPAC Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide
• SMILES: CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)C(=O)C1CC1
• InChI: InChI=1S/C24H29ClN2O3S/c1-2-30-14-3-12-26(24(29)18-4-5-18)16-22(28)27-13-10-21-20(11-15-31-21)23(27)17-6-8-19(25)9-7-17/h6-9,11,15,18,23H,2-5,10,12-14,16H2,1H3
• InChIKey: HNVQZNRFTXNSMT-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.03
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide?

The IUPAC name of N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide (CID 3427665) is N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide?

The canonical SMILES for N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide is CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)C(=O)C1CC1.

What is the InChIKey of N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide?

The InChIKey is HNVQZNRFTXNSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3S/c1-2-30-14-3-12-26(24(29)18-4-5-18)16-22(28)27-13-10-21-20(11-15-31-21)23(27)17-6-8-19(25)9-7-17/h6-9,11,15,18,23H,2-5,10,12-14,16H2,1H3.

What are the key properties of N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide?

N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide has a molecular weight of 461.03 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide is sourced from PubChem (CID 3427665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).