3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

C26H26N2O3S — CID 56546466

About 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 56546466) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
• PubChem CID: 56546466
• Molecular Formula: C26H26N2O3S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.17
• IUPAC Name: 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
• SMILES: COc1cccc(C(CNC(=O)c2sccc2C2CC2)c2c[nH]c3ccccc23)c1OC
• InChI: InChI=1S/C26H26N2O3S/c1-30-23-9-5-7-19(24(23)31-2)21(20-14-27-22-8-4-3-6-18(20)22)15-28-26(29)25-17(12-13-32-25)16-10-11-16/h3-9,12-14,16,21,27H,10-11,15H2,1-2H3,(H,28,29)
• InChIKey: KVNOZLMNXHERQE-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 63.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.57
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide (CID 56546466) is 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide is COc1cccc(C(CNC(=O)c2sccc2C2CC2)c2c[nH]c3ccccc23)c1OC.

What is the InChIKey of 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?

The InChIKey is KVNOZLMNXHERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-30-23-9-5-7-19(24(23)31-2)21(20-14-27-22-8-4-3-6-18(20)22)15-28-26(29)25-17(12-13-32-25)16-10-11-16/h3-9,12-14,16,21,27H,10-11,15H2,1-2H3,(H,28,29).

What are the key properties of 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?

3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 56546466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).