N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide

C34H36N2O4S — CID 3574890

About N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide

N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 3574890) has the molecular formula C34H36N2O4S and a molecular weight of 568.74 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
• PubChem CID: 3574890
• Molecular Formula: C34H36N2O4S
• Molecular Weight: 568.74 g/mol
• Exact Mass: 568.24
• IUPAC Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
• SMILES: COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)cc1OC
• InChI: InChI=1S/C34H36N2O4S/c1-39-30-18-15-25(22-31(30)40-2)19-20-35(23-29-14-9-21-41-29)32(37)24-36(28-16-17-28)34(38)33(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-15,18,21-22,28,33H,16-17,19-20,23-24H2,1-2H3
• InChIKey: UFOULCBYXORBCO-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.74
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide?

The IUPAC name of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide (CID 3574890) is N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide?

The canonical SMILES for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide is COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)cc1OC.

What is the InChIKey of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide?

The InChIKey is UFOULCBYXORBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4S/c1-39-30-18-15-25(22-31(30)40-2)19-20-35(23-29-14-9-21-41-29)32(37)24-36(28-16-17-28)34(38)33(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-15,18,21-22,28,33H,16-17,19-20,23-24H2,1-2H3.

What are the key properties of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide?

N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 568.74 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3574890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).