2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid

C11H14N2O6S — CID 119171965

IUPAC2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H14N2O6S/c1-13(6-10(14)15)11(16)8-5-7(20(12,17)18)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,14,15)(H2,12,17,18)
InChIKeyCBWJFGKOBLDLJG-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.50
Rot. Bonds5

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

2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid (PubChem CID 119171965) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
PubChem CID119171965
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H14N2O6S/c1-13(6-10(14)15)11(16)8-5-7(20(12,17)18)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,14,15)(H2,12,17,18)
InChIKeyCBWJFGKOBLDLJG-UHFFFAOYSA-N
XLogP-0.50
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
3-[(2-methoxy-5-methylsulfonylbenzoyl)-methylamino]propanoic acid
CID 120687388
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
CID 118772025
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479972

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid (CID 119171965) is 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid is COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid?
The InChIKey is CBWJFGKOBLDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-13(6-10(14)15)11(16)8-5-7(20(12,17)18)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,14,15)(H2,12,17,18).
What are the key properties of 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid?
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid has a molecular weight of 302.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 119171965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).