2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid

C19H22N2O5S — CID 119198279

IUPAC2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H22N2O5S/c1-14(2)21(13-18(22)23)19(24)16-9-6-10-17(11-16)27(25,26)20-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,22,23)
InChIKeyXRBKOPBJNPRSFD-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.10
Rot. Bonds8

About 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid

2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid (PubChem CID 119198279) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
PubChem CID119198279
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H22N2O5S/c1-14(2)21(13-18(22)23)19(24)16-9-6-10-17(11-16)27(25,26)20-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,22,23)
InChIKeyXRBKOPBJNPRSFD-UHFFFAOYSA-N
XLogP2.10
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(benzenesulfonylmethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198774
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
2-[[3-[[benzyl(methyl)amino]methyl]benzoyl]-propan-2-ylamino]acetic acid
CID 120580855
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
CID 56536544
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193315

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid (CID 119198279) is 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
The InChIKey is XRBKOPBJNPRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(2)21(13-18(22)23)19(24)16-9-6-10-17(11-16)27(25,26)20-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid has a molecular weight of 390.46 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).