3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid

C12H16N2O6S — CID 43711796

IUPAC3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)O)c1
InChIInChI=1S/C12H16N2O6S/c1-20-8-11(15)13-9-3-2-4-10(7-9)14-21(18,19)6-5-12(16)17/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)(H,16,17)
InChIKeyNXZHRTTYHLJGEN-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.49
Rot. Bonds8

About 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid

3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid (PubChem CID 43711796) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
PubChem CID43711796
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)O)c1
InChIInChI=1S/C12H16N2O6S/c1-20-8-11(15)13-9-3-2-4-10(7-9)14-21(18,19)6-5-12(16)17/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)(H,16,17)
InChIKeyNXZHRTTYHLJGEN-UHFFFAOYSA-N
XLogP0.49
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 35545961
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CID 25335006
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
CID 110425766
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571
3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
CID 43361776
2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
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4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid (CID 43711796) is 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid is COCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)O)c1.
What is the InChIKey of 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid?
The InChIKey is NXZHRTTYHLJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-20-8-11(15)13-9-3-2-4-10(7-9)14-21(18,19)6-5-12(16)17/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid?
3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid has a molecular weight of 316.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43711796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).