N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide

C27H29FN2O4S — CID 3202820

About N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide

N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide (PubChem CID 3202820) has the molecular formula C27H29FN2O4S and a molecular weight of 496.60 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide
• PubChem CID: 3202820
• Molecular Formula: C27H29FN2O4S
• Molecular Weight: 496.60 g/mol
• Exact Mass: 496.18
• IUPAC Name: N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide
• SMILES: COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2F)cc1OC
• InChI: InChI=1S/C27H29FN2O4S/c1-33-23-14-13-19(16-24(23)34-2)30(25(31)17-20-10-7-15-35-20)26(21-11-5-6-12-22(21)28)27(32)29-18-8-3-4-9-18/h5-7,10-16,18,26H,3-4,8-9,17H2,1-2H3,(H,29,32)
• InChIKey: GDBJXLRPGMTQDV-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.60
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide?

The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide (CID 3202820) is N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide.

What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide?

The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide is COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2F)cc1OC.

What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide?

The InChIKey is GDBJXLRPGMTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4S/c1-33-23-14-13-19(16-24(23)34-2)30(25(31)17-20-10-7-15-35-20)26(21-11-5-6-12-22(21)28)27(32)29-18-8-3-4-9-18/h5-7,10-16,18,26H,3-4,8-9,17H2,1-2H3,(H,29,32).

What are the key properties of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide?

N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide has a molecular weight of 496.60 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3202820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).