N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

C32H38N2O3S — CID 3978580

About N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 3978580) has the molecular formula C32H38N2O3S and a molecular weight of 530.73 g/mol. Its IUPAC name is N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 3978580
• Molecular Formula: C32H38N2O3S
• Molecular Weight: 530.73 g/mol
• Exact Mass: 530.26
• IUPAC Name: N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: CCCCCCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(OC)cc2)C2CC2)cc1
• InChI: InChI=1S/C32H38N2O3S/c1-3-4-5-6-7-23-8-10-25(11-9-23)32(36)34(26-14-15-26)22-30(35)33-20-18-29-28(19-21-38-29)31(33)24-12-16-27(37-2)17-13-24/h8-13,16-17,19,21,26,31H,3-7,14-15,18,20,22H2,1-2H3
• InChIKey: WLODDVGADCNYPJ-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.73
LogP ≤ 5	6.66
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-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The IUPAC name of N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 3978580) is N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

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

The canonical SMILES for N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is CCCCCCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(OC)cc2)C2CC2)cc1.

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

The InChIKey is WLODDVGADCNYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3S/c1-3-4-5-6-7-23-8-10-25(11-9-23)32(36)34(26-14-15-26)22-30(35)33-20-18-29-28(19-21-38-29)31(33)24-12-16-27(37-2)17-13-24/h8-13,16-17,19,21,26,31H,3-7,14-15,18,20,22H2,1-2H3.

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

N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 530.73 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3978580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).