(2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

C27H28ClFN2O2S — CID 25313917

About (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

(2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (PubChem CID 25313917) has the molecular formula C27H28ClFN2O2S and a molecular weight of 499.05 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
• PubChem CID: 25313917
• Molecular Formula: C27H28ClFN2O2S
• Molecular Weight: 499.05 g/mol
• Exact Mass: 498.15
• IUPAC Name: (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
• SMILES: O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)Cc1ccsc1
• InChI: InChI=1S/C27H28ClFN2O2S/c28-24-9-5-4-6-21(24)17-31(25(32)16-19-14-15-34-18-19)26(20-10-12-22(29)13-11-20)27(33)30-23-7-2-1-3-8-23/h4-6,9-15,18,23,26H,1-3,7-8,16-17H2,(H,30,33)/t26-/m1/s1
• InChIKey: NMMPJVMPXSORIH-AREMUKBSSA-N
• XLogP: 6.30
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.05
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (CID 25313917) is (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

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

The canonical SMILES for (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)Cc1ccsc1.

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

The InChIKey is NMMPJVMPXSORIH-AREMUKBSSA-N. The full InChI is InChI=1S/C27H28ClFN2O2S/c28-24-9-5-4-6-21(24)17-31(25(32)16-19-14-15-34-18-19)26(20-10-12-22(29)13-11-20)27(33)30-23-7-2-1-3-8-23/h4-6,9-15,18,23,26H,1-3,7-8,16-17H2,(H,30,33)/t26-/m1/s1.

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

(2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide has a molecular weight of 499.05 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 25313917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).