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

C24H24ClFN2O4S — CID 28545049

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

2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28545049) has the molecular formula C24H24ClFN2O4S and a molecular weight of 490.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
• PubChem CID: 28545049
• Molecular Formula: C24H24ClFN2O4S
• Molecular Weight: 490.98 g/mol
• Exact Mass: 490.11
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
• SMILES: COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H24ClFN2O4S/c1-17(21-8-4-6-10-23(21)32-2)27-24(29)16-28(15-18-7-3-5-9-22(18)26)33(30,31)20-13-11-19(25)12-14-20/h3-14,17H,15-16H2,1-2H3,(H,27,29)/t17-/m0/s1
• InChIKey: UTYHFPXMCWVUPS-KRWDZBQOSA-N
• XLogP: 4.56
• 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	490.98
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28545049) is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1.

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

The InChIKey is UTYHFPXMCWVUPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24ClFN2O4S/c1-17(21-8-4-6-10-23(21)32-2)27-24(29)16-28(15-18-7-3-5-9-22(18)26)33(30,31)20-13-11-19(25)12-14-20/h3-14,17H,15-16H2,1-2H3,(H,27,29)/t17-/m0/s1.

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

2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 490.98 g/mol, XLogP of 4.56, 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-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28545049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).