2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid

C19H22N2O5S — CID 120517921

IUPAC2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-20-27(25,26)17-10-8-15(9-11-17)12-18(22)21(14-19(23)24)13-16-6-4-3-5-7-16/h3-11,20H,2,12-14H2,1H3,(H,23,24)
InChIKeyMRXYNRKZPVPISW-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.64
Rot. Bonds9

About 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid

2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid (PubChem CID 120517921) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid
PubChem CID120517921
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-20-27(25,26)17-10-8-15(9-11-17)12-18(22)21(14-19(23)24)13-16-6-4-3-5-7-16/h3-11,20H,2,12-14H2,1H3,(H,23,24)
InChIKeyMRXYNRKZPVPISW-UHFFFAOYSA-N
XLogP1.64
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(ethylsulfamoyl)phenyl]-N-methylacetamide
CID 75522415
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
CID 63644748
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253
2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid
CID 120512118
2-[benzyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119196802
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid (CID 120517921) is 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid is CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid?
The InChIKey is MRXYNRKZPVPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-20-27(25,26)17-10-8-15(9-11-17)12-18(22)21(14-19(23)24)13-16-6-4-3-5-7-16/h3-11,20H,2,12-14H2,1H3,(H,23,24).
What are the key properties of 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid?
2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid has a molecular weight of 390.46 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120517921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).