2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide

C26H30ClN3O4S — CID 133201453

About 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide

2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 133201453) has the molecular formula C26H30ClN3O4S and a molecular weight of 516.06 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 133201453
• Molecular Formula: C26H30ClN3O4S
• Molecular Weight: 516.06 g/mol
• Exact Mass: 515.16
• IUPAC Name: 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide
• SMILES: CC(C)NC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C26H30ClN3O4S/c1-18(2)28-26(32)19(3)30(16-20-8-7-11-23(27)14-20)25(31)17-29(4)35(33,34)24-13-12-21-9-5-6-10-22(21)15-24/h5-15,18-19H,16-17H2,1-4H3,(H,28,32)
• InChIKey: ROAHVFXMWDEBED-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.06
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide (CID 133201453) is 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide.

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

The canonical SMILES for 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1.

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

The InChIKey is ROAHVFXMWDEBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4S/c1-18(2)28-26(32)19(3)30(16-20-8-7-11-23(27)14-20)25(31)17-29(4)35(33,34)24-13-12-21-9-5-6-10-22(21)15-24/h5-15,18-19H,16-17H2,1-4H3,(H,28,32).

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

2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 516.06 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 133201453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).