2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C14H16N2O4S2 — CID 20983647

IUPAC2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(c1nc(CC(=O)O)cs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16N2O4S2/c1-3-16(14-15-11(9-21-14)8-13(17)18)22(19,20)12-6-4-10(2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyOGFMQHNTDLKHDG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.29
Rot. Bonds6

About 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 20983647) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID20983647
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(c1nc(CC(=O)O)cs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16N2O4S2/c1-3-16(14-15-11(9-21-14)8-13(17)18)22(19,20)12-6-4-10(2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyOGFMQHNTDLKHDG-UHFFFAOYSA-N
XLogP2.29
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl-(4-methylphenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 54586312
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
5-[ethyl-[2-(4-methylphenyl)-1,3-thiazol-4-yl]sulfamoyl]-2-methylbenzoic acid
CID 69236674
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
CID 28590060
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid
CID 4713847
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
2-[2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid chloride
CID 82032178
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 20983647) is 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is CCN(c1nc(CC(=O)O)cs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is OGFMQHNTDLKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-3-16(14-15-11(9-21-14)8-13(17)18)22(19,20)12-6-4-10(2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 340.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 20983647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).