2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid

C10H13N3O5S — CID 84760757

IUPAC2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13N3O5S/c1-13(6-9(14)15)19(17,18)12-8-4-2-7(3-5-8)10(11)16/h2-5,12H,6H2,1H3,(H2,11,16)(H,14,15)
InChIKeyBSOLBRIYDNCRFE-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.54
Rot. Bonds6

About 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid

2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid (PubChem CID 84760757) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid
PubChem CID84760757
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13N3O5S/c1-13(6-9(14)15)19(17,18)12-8-4-2-7(3-5-8)10(11)16/h2-5,12H,6H2,1H3,(H2,11,16)(H,14,15)
InChIKeyBSOLBRIYDNCRFE-UHFFFAOYSA-N
XLogP-0.54
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]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

4-(dimethylsulfamoylamino)benzoic acid
CID 653734
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760811
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 45307830
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116
methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760847
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79269757

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid (CID 84760757) is 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid?
The InChIKey is BSOLBRIYDNCRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-13(6-9(14)15)19(17,18)12-8-4-2-7(3-5-8)10(11)16/h2-5,12H,6H2,1H3,(H2,11,16)(H,14,15).
What are the key properties of 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid?
2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid has a molecular weight of 287.30 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid is sourced from PubChem (CID 84760757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).