2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid

C11H14N2O6S — CID 61455369

IUPAC2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1ccc(C(N)=O)cc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H14N2O6S/c1-6(11(15)16)20(17,18)13-8-5-7(10(12)14)3-4-9(8)19-2/h3-6,13H,1-2H3,(H2,12,14)(H,15,16)
InChIKeyCEHINKNYOWRUHI-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.01
Rot. Bonds6

About 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid

2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid (PubChem CID 61455369) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
PubChem CID61455369
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1ccc(C(N)=O)cc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H14N2O6S/c1-6(11(15)16)20(17,18)13-8-5-7(10(12)14)3-4-9(8)19-2/h3-6,13H,1-2H3,(H2,12,14)(H,15,16)
InChIKeyCEHINKNYOWRUHI-UHFFFAOYSA-N
XLogP0.01
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 61454869
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057
2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
CID 103410995
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
CID 61062315
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
CID 61454221
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid (CID 61455369) is 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid is COc1ccc(C(N)=O)cc1NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid?
The InChIKey is CEHINKNYOWRUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-6(11(15)16)20(17,18)13-8-5-7(10(12)14)3-4-9(8)19-2/h3-6,13H,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid?
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid has a molecular weight of 302.31 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61455369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).