2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid

C11H16N2O5S — CID 84760847

IUPAC2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O5S/c1-8-4-5-10(18-3)9(6-8)12-19(16,17)13(2)7-11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyMCZPXPVOQSYALV-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.68
Rot. Bonds6

About 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid

2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid (PubChem CID 84760847) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
PubChem CID84760847
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O5S/c1-8-4-5-10(18-3)9(6-8)12-19(16,17)13(2)7-11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyMCZPXPVOQSYALV-UHFFFAOYSA-N
XLogP0.68
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
3-[[butyl(methyl)sulfamoyl]amino]-4-methoxybenzoic acid
CID 63742420
2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065425
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid (CID 84760847) is 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid is COc1ccc(C)cc1NS(=O)(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid?
The InChIKey is MCZPXPVOQSYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8-4-5-10(18-3)9(6-8)12-19(16,17)13(2)7-11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid?
2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid has a molecular weight of 288.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid is sourced from PubChem (CID 84760847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).