2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid

C17H20N2O4S — CID 54326605

IUPAC2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-18(12-15-8-4-2-5-9-15)24(22,23)19(14-17(20)21)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,21)
InChIKeySVJWHCHXKMXVCY-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.95
Rot. Bonds8

About 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid

2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid (PubChem CID 54326605) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
PubChem CID54326605
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-18(12-15-8-4-2-5-9-15)24(22,23)19(14-17(20)21)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,21)
InChIKeySVJWHCHXKMXVCY-UHFFFAOYSA-N
XLogP1.95
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfamoyl)amino]acetic acid
CID 136572280
2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonylamino]acetic acid
CID 24761777
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
CID 43598392
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid (CID 54326605) is 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid is CN(Cc1ccccc1)S(=O)(=O)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid?
The InChIKey is SVJWHCHXKMXVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18(12-15-8-4-2-5-9-15)24(22,23)19(14-17(20)21)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,21).
What are the key properties of 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid?
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid has a molecular weight of 348.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid is sourced from PubChem (CID 54326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).