2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

C34H36ClN3O4S — CID 133247789

About 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 133247789) has the molecular formula C34H36ClN3O4S and a molecular weight of 618.20 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
• PubChem CID: 133247789
• Molecular Formula: C34H36ClN3O4S
• Molecular Weight: 618.20 g/mol
• Exact Mass: 617.21
• IUPAC Name: 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
• SMILES: CN(CC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C34H36ClN3O4S/c1-37(43(41,42)30-20-19-26-13-5-6-14-27(26)22-30)24-33(39)38(23-28-15-7-10-18-31(28)35)32(21-25-11-3-2-4-12-25)34(40)36-29-16-8-9-17-29/h2-7,10-15,18-20,22,29,32H,8-9,16-17,21,23-24H2,1H3,(H,36,40)
• InChIKey: UTTTVMBCLZPXEX-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.20
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?

The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide (CID 133247789) is 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide.

What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?

The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide is CN(CC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1.

What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?

The InChIKey is UTTTVMBCLZPXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClN3O4S/c1-37(43(41,42)30-20-19-26-13-5-6-14-27(26)22-30)24-33(39)38(23-28-15-7-10-18-31(28)35)32(21-25-11-3-2-4-12-25)34(40)36-29-16-8-9-17-29/h2-7,10-15,18-20,22,29,32H,8-9,16-17,21,23-24H2,1H3,(H,36,40).

What are the key properties of 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?

2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 618.20 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 133247789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).