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

C18H22N2O3S — CID 110674320

IUPACN-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-20(15-17-10-6-3-7-11-17)24(22,23)13-12-18(21)19-14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,19,21)
InChIKeyYKHLNUVWQYDKAF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.15
Rot. Bonds8

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

N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide (PubChem CID 110674320) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
PubChem CID110674320
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-20(15-17-10-6-3-7-11-17)24(22,23)13-12-18(21)19-14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,19,21)
InChIKeyYKHLNUVWQYDKAF-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 110674327
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618292
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
3-[(3-bromophenyl)methyl-methylsulfamoyl]propanoic acid
CID 61041127
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
N-benzyl-3-chloropropanamide
CID 10391
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 113241813
N-benzyl-4,4-dimethylpentanamide
CID 59836653
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide?
The IUPAC name of N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide (CID 110674320) is N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide.
What is the SMILES notation for N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide?
The canonical SMILES for N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide is CN(Cc1ccccc1)S(=O)(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide?
The InChIKey is YKHLNUVWQYDKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20(15-17-10-6-3-7-11-17)24(22,23)13-12-18(21)19-14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,19,21).
What are the key properties of N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide?
N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide is sourced from PubChem (CID 110674320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).