2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C25H27ClN2O4S — CID 28544842

About 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28544842) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
• PubChem CID: 28544842
• Molecular Formula: C25H27ClN2O4S
• Molecular Weight: 487.02 g/mol
• Exact Mass: 486.14
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
• SMILES: COc1ccccc1[C@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H27ClN2O4S/c1-18-7-6-8-20(15-18)16-28(33(30,31)22-13-11-21(26)12-14-22)17-25(29)27-19(2)23-9-4-5-10-24(23)32-3/h4-15,19H,16-17H2,1-3H3,(H,27,29)/t19-/m0/s1
• InChIKey: KXVNBOWCNQRAES-IBGZPJMESA-N
• XLogP: 4.73
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.02
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28544842) is 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?

The InChIKey is KXVNBOWCNQRAES-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-18-7-6-8-20(15-18)16-28(33(30,31)22-13-11-21(26)12-14-22)17-25(29)27-19(2)23-9-4-5-10-24(23)32-3/h4-15,19H,16-17H2,1-3H3,(H,27,29)/t19-/m0/s1.

What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?

2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28544842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).