3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide

C18H20FN3O4S — CID 2552341

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H20FN3O4S/c1-12-3-4-15(11-17(12)19)22-18(24)9-10-20-27(25,26)16-7-5-14(6-8-16)21-13(2)23/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLYZYRBOGMLAWKV-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.40
Rot. Bonds7

About 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 2552341) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID2552341
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H20FN3O4S/c1-12-3-4-15(11-17(12)19)22-18(24)9-10-20-27(25,26)16-7-5-14(6-8-16)21-13(2)23/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLYZYRBOGMLAWKV-UHFFFAOYSA-N
XLogP2.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 6102762
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
Sulfonamide deriv., 7d
CID 44520901
(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 9314413
(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24416843
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-{4-[(3,4-dimethylanilino)sulfonyl]phenyl}cyclopropanecarboxamide
CID 833609

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide (CID 2552341) is 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is LYZYRBOGMLAWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-12-3-4-15(11-17(12)19)22-18(24)9-10-20-27(25,26)16-7-5-14(6-8-16)21-13(2)23/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 2552341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).