2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide

C24H25Cl2N3O4S — CID 132683410

About 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide

2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide (PubChem CID 132683410) has the molecular formula C24H25Cl2N3O4S and a molecular weight of 522.45 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
• PubChem CID: 132683410
• Molecular Formula: C24H25Cl2N3O4S
• Molecular Weight: 522.45 g/mol
• Exact Mass: 521.09
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
• SMILES: CNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C24H25Cl2N3O4S/c1-16(24(31)27-2)29(14-20-21(25)9-6-10-22(20)26)23(30)15-28(3)34(32,33)19-12-11-17-7-4-5-8-18(17)13-19/h4-13,16H,14-15H2,1-3H3,(H,27,31)
• InChIKey: SRRFWGBPXJTPDS-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.45
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide (CID 132683410) is 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide.

What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1.

What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?

The InChIKey is SRRFWGBPXJTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O4S/c1-16(24(31)27-2)29(14-20-21(25)9-6-10-22(20)26)23(30)15-28(3)34(32,33)19-12-11-17-7-4-5-8-18(17)13-19/h4-13,16H,14-15H2,1-3H3,(H,27,31).

What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?

2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide has a molecular weight of 522.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132683410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).