N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide

C17H19N3O4S — CID 4240198

IUPACN-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-12(20-25(23,24)16-6-4-3-5-7-16)17(22)19-15-10-8-14(9-11-15)18-13(2)21/h3-12,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyJXPHMYJZMLJQFB-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.95
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide

N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide (PubChem CID 4240198) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
PubChem CID4240198
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-12(20-25(23,24)16-6-4-3-5-7-16)17(22)19-15-10-8-14(9-11-15)18-13(2)21/h3-12,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyJXPHMYJZMLJQFB-UHFFFAOYSA-N
XLogP1.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylphenyl)propanamide
CID 26011344
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide (CID 4240198) is N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide?
The InChIKey is JXPHMYJZMLJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12(20-25(23,24)16-6-4-3-5-7-16)17(22)19-15-10-8-14(9-11-15)18-13(2)21/h3-12,20H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide?
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide has a molecular weight of 361.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide is sourced from PubChem (CID 4240198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).