2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid

C22H20N2O4S — CID 139894940

IUPAC2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-17-6-10-20(11-7-17)29(27,28)24(16-22(25)26)21-5-3-2-4-19(21)9-8-18-12-14-23-15-13-18/h2-15H,16H2,1H3,(H,25,26)/b9-8+
InChIKeyIFRPQWGOSGJCAB-CMDGGOBGSA-N
MW408.48 g/mol
LogP3.84
Rot. Bonds7

About 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid

2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid (PubChem CID 139894940) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
PubChem CID139894940
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-17-6-10-20(11-7-17)29(27,28)24(16-22(25)26)21-5-3-2-4-19(21)9-8-18-12-14-23-15-13-18/h2-15H,16H2,1H3,(H,25,26)/b9-8+
InChIKeyIFRPQWGOSGJCAB-CMDGGOBGSA-N
XLogP3.84
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
CID 139895048
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
CID 139895004
N-hydroxy-2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]anilino]acetamide
CID 139894955
N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 10272987
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetic acid
CID 139894948
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]anilino]acetic acid
CID 139895022
N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 132517238
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
CID 142655552
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 51345438
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
CID 139895047
2-[benzenesulfonyl-[4-[benzenesulfonyl(carboxymethyl)amino]naphthalen-1-yl]amino]acetic acid
CID 122184784

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid?
The IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid (CID 139894940) is 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid?
The canonical SMILES for 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid is Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2/C=C/c2ccncc2)cc1.
What is the InChIKey of 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid?
The InChIKey is IFRPQWGOSGJCAB-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-17-6-10-20(11-7-17)29(27,28)24(16-22(25)26)21-5-3-2-4-19(21)9-8-18-12-14-23-15-13-18/h2-15H,16H2,1H3,(H,25,26)/b9-8+.
What are the key properties of 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid?
2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid has a molecular weight of 408.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid is sourced from PubChem (CID 139894940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).