2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide

C27H31N3O3S — CID 3191196

About 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide

2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 3191196) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
• PubChem CID: 3191196
• Molecular Formula: C27H31N3O3S
• Molecular Weight: 477.63 g/mol
• Exact Mass: 477.21
• IUPAC Name: 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
• SMILES: CC(=O)c1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCCC1)c1cccn1C
• InChI: InChI=1S/C27H31N3O3S/c1-19(31)22-13-6-7-14-23(22)30(25(32)18-21-12-9-17-34-21)26(24-15-8-16-29(24)2)27(33)28-20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11,18H2,1-2H3,(H,28,33)
• InChIKey: XDDUYUSDZCYCLX-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.63
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide?

The IUPAC name of 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide (CID 3191196) is 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide.

What is the SMILES notation for 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide?

The canonical SMILES for 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide is CC(=O)c1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCCC1)c1cccn1C.

What is the InChIKey of 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide?

The InChIKey is XDDUYUSDZCYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-19(31)22-13-6-7-14-23(22)30(25(32)18-21-12-9-17-34-21)26(24-15-8-16-29(24)2)27(33)28-20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11,18H2,1-2H3,(H,28,33).

What are the key properties of 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide?

2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 477.63 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 3191196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).