N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide

C18H22N2O3S — CID 110342924

IUPACN-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-19(15-16-9-5-3-6-10-16)18(21)13-14-24(22,23)20(2)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyIGPDVMBGQQZLAA-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds7

About N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide

N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide (PubChem CID 110342924) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
PubChem CID110342924
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-19(15-16-9-5-3-6-10-16)18(21)13-14-24(22,23)20(2)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyIGPDVMBGQQZLAA-UHFFFAOYSA-N
XLogP2.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342932
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
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N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropanamide
CID 34284353
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfonylacetic acid
CID 82180460
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
CID 110389834
(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide (CID 110342924) is N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide is CN(Cc1ccccc1)C(=O)CCS(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide?
The InChIKey is IGPDVMBGQQZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19(15-16-9-5-3-6-10-16)18(21)13-14-24(22,23)20(2)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide?
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide is sourced from PubChem (CID 110342924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).