N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

C18H21N3O4S — CID 5125131

IUPACN-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-12-4-10-17(11-5-12)26(24,25)21-13(2)18(23)20-16-8-6-15(7-9-16)19-14(3)22/h4-11,13,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyKWBRPPZVTDMHTC-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.26
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 5125131) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID5125131
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-12-4-10-17(11-5-12)26(24,25)21-13(2)18(23)20-16-8-6-15(7-9-16)19-14(3)22/h4-11,13,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyKWBRPPZVTDMHTC-UHFFFAOYSA-N
XLogP2.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 55936156
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 5125131) is N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is CC(=O)Nc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is KWBRPPZVTDMHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-4-10-17(11-5-12)26(24,25)21-13(2)18(23)20-16-8-6-15(7-9-16)19-14(3)22/h4-11,13,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 375.45 g/mol, XLogP of 2.26, 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-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 5125131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).