N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide

C13H18N2O4S — CID 110343404

IUPACN-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)11-4-6-12(7-5-11)14-13(17)8-9-20(18,19)15(2)3/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyUYBPGADJEQZKBV-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.11
Rot. Bonds6

About N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide

N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide (PubChem CID 110343404) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide
PubChem CID110343404
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)11-4-6-12(7-5-11)14-13(17)8-9-20(18,19)15(2)3/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyUYBPGADJEQZKBV-UHFFFAOYSA-N
XLogP1.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016465
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017139
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
3-(4-acetylphenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 78924912
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide (CID 110343404) is N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide is CC(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide?
The InChIKey is UYBPGADJEQZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(16)11-4-6-12(7-5-11)14-13(17)8-9-20(18,19)15(2)3/h4-7H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide?
N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide has a molecular weight of 298.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 110343404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).