2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid

C11H16N2O4S — CID 114805606

IUPAC2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid
SMILESCCNS(=O)(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O4S/c1-3-12-18(16,17)13(8-11(14)15)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3,(H,14,15)
InChIKeyXNIMMARHUPJLDM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.74
Rot. Bonds6

About 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid

2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid (PubChem CID 114805606) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid
PubChem CID114805606
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid
SMILESCCNS(=O)(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O4S/c1-3-12-18(16,17)13(8-11(14)15)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3,(H,14,15)
InChIKeyXNIMMARHUPJLDM-UHFFFAOYSA-N
XLogP0.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(3,3-dimethylbutylsulfonyl)-4-methylanilino]acetic acid
CID 103520939
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
CID 63644748
3-[N-(2-ethylsulfonylethyl)-4-methylanilino]propanoic acid
CID 60839394
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetic acid
CID 3453928
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
CID 126459099
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
3-(4-methyl-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 61455541
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947

Frequently Asked Questions

What is the IUPAC name of 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid?
The IUPAC name of 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid (CID 114805606) is 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid is CCNS(=O)(=O)N(CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid?
The InChIKey is XNIMMARHUPJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-12-18(16,17)13(8-11(14)15)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid?
2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(ethylsulfamoyl)-4-methylanilino]acetic acid is sourced from PubChem (CID 114805606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).