N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide

C16H18N2O3S — CID 795181

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
InChIInChI=1S/C16H18N2O3S/c1-17-16(19)13-18(12-14-8-4-2-5-9-14)22(20,21)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)
InChIKeyFTUDMDNZLYFUTH-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.90
Rot. Bonds6

About N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide

N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide (PubChem CID 795181) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide
PubChem CID795181
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
InChIInChI=1S/C16H18N2O3S/c1-17-16(19)13-18(12-14-8-4-2-5-9-14)22(20,21)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)
InChIKeyFTUDMDNZLYFUTH-UHFFFAOYSA-N
XLogP1.90
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity447

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N,N'-Dibenzyloxamide
CID 219253
N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
Hydroxamate 11
CID 10001582
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
{(2-{Carboxymethyl-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-acetic acid
CID 11061197
N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2229748
2-(Benzenesulfonyl-benzyl-amino)-N-tert-butyl-acetamide
CID 2252317
2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2500491
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197

Frequently Asked Questions

What is the IUPAC name of N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide?
The IUPAC name of N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide (CID 795181) is 2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide.
What is the SMILES notation for N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide?
The canonical SMILES for N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide is CNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2.
What is the InChIKey of N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide?
The InChIKey is FTUDMDNZLYFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-17-16(19)13-18(12-14-8-4-2-5-9-14)22(20,21)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19).
What are the key properties of N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide?
N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide has a molecular weight of 318.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide is sourced from PubChem (CID 795181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).