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

C24H24BrClN2O3S — CID 94861224

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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide (PubChem CID 94861224) has the molecular formula C24H24BrClN2O3S and a molecular weight of 535.89 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide
• PubChem CID: 94861224
• Molecular Formula: C24H24BrClN2O3S
• Molecular Weight: 535.89 g/mol
• Exact Mass: 534.04
• IUPAC Name: N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide
• SMILES: Cc1cccc(CN(CC(=O)N[C@H](C)c2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C24H24BrClN2O3S/c1-17-5-3-6-19(13-17)15-28(32(30,31)23-11-9-22(26)10-12-23)16-24(29)27-18(2)20-7-4-8-21(25)14-20/h3-14,18H,15-16H2,1-2H3,(H,27,29)/t18-/m1/s1
• InChIKey: NZLPVMIKRVTTIX-GOSISDBHSA-N
• XLogP: 5.48
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.89
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide (CID 94861224) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide.

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

The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide is Cc1cccc(CN(CC(=O)N[C@H](C)c2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)c1.

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

The InChIKey is NZLPVMIKRVTTIX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24BrClN2O3S/c1-17-5-3-6-19(13-17)15-28(32(30,31)23-11-9-22(26)10-12-23)16-24(29)27-18(2)20-7-4-8-21(25)14-20/h3-14,18H,15-16H2,1-2H3,(H,27,29)/t18-/m1/s1.

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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide has a molecular weight of 535.89 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 94861224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).