(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide

C24H25FN2O2S2 — CID 1435929

About (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide

(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide (PubChem CID 1435929) has the molecular formula C24H25FN2O2S2 and a molecular weight of 456.61 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
• PubChem CID: 1435929
• Molecular Formula: C24H25FN2O2S2
• Molecular Weight: 456.61 g/mol
• Exact Mass: 456.13
• IUPAC Name: (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
• SMILES: O=C(NC1CCCC1)[C@@H](c1ccsc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1
• InChI: InChI=1S/C24H25FN2O2S2/c25-19-9-7-17(8-10-19)15-27(22(28)14-21-6-3-12-31-21)23(18-11-13-30-16-18)24(29)26-20-4-1-2-5-20/h3,6-13,16,20,23H,1-2,4-5,14-15H2,(H,26,29)/t23-/m1/s1
• InChIKey: QVBUFROYAMRGGD-HSZRJFAPSA-N
• XLogP: 5.32
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.61
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide (CID 1435929) is (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide is O=C(NC1CCCC1)[C@@H](c1ccsc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1.

What is the InChIKey of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?

The InChIKey is QVBUFROYAMRGGD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25FN2O2S2/c25-19-9-7-17(8-10-19)15-27(22(28)14-21-6-3-12-31-21)23(18-11-13-30-16-18)24(29)26-20-4-1-2-5-20/h3,6-13,16,20,23H,1-2,4-5,14-15H2,(H,26,29)/t23-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?

(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide has a molecular weight of 456.61 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 1435929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).