3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide

C24H25ClN2O3S — CID 42699557

IUPAC3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-19(21-10-6-3-7-11-21)26-24(28)16-17-27(18-20-8-4-2-5-9-20)31(29,30)23-14-12-22(25)13-15-23/h2-15,19H,16-18H2,1H3,(H,26,28)
InChIKeyJQVCUQKTMUOHTR-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.80
Rot. Bonds9

About 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide

3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide (PubChem CID 42699557) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
PubChem CID42699557
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-19(21-10-6-3-7-11-21)26-24(28)16-17-27(18-20-8-4-2-5-9-20)31(29,30)23-14-12-22(25)13-15-23/h2-15,19H,16-18H2,1H3,(H,26,28)
InChIKeyJQVCUQKTMUOHTR-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543198
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 126068242
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide (CID 42699557) is 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is JQVCUQKTMUOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-19(21-10-6-3-7-11-21)26-24(28)16-17-27(18-20-8-4-2-5-9-20)31(29,30)23-14-12-22(25)13-15-23/h2-15,19H,16-18H2,1H3,(H,26,28).
What are the key properties of 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 457.00 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42699557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).