2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid

C22H20N2O5S — CID 139895004

IUPAC2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2/C=C\c2cccnc2)cc1
InChIInChI=1S/C22H20N2O5S/c1-29-19-10-12-20(13-11-19)30(27,28)24(16-22(25)26)21-7-3-2-6-18(21)9-8-17-5-4-14-23-15-17/h2-15H,16H2,1H3,(H,25,26)/b9-8-
InChIKeyZKVZGLOSQBQRDI-HJWRWDBZSA-N
MW424.48 g/mol
LogP3.54
Rot. Bonds8

About 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid

2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid (PubChem CID 139895004) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
PubChem CID139895004
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2/C=C\c2cccnc2)cc1
InChIInChI=1S/C22H20N2O5S/c1-29-19-10-12-20(13-11-19)30(27,28)24(16-22(25)26)21-7-3-2-6-18(21)9-8-17-5-4-14-23-15-17/h2-15H,16H2,1H3,(H,25,26)/b9-8-
InChIKeyZKVZGLOSQBQRDI-HJWRWDBZSA-N
XLogP3.54
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-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-[(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
2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
CID 139895048
2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
CID 139894940
N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 10272987
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
CID 142655552
tert-butyl 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetate
CID 139895016
N-(4-methoxyphenyl)sulfonyl-N-[2-[(Z)-2-pyridin-4-ylethenyl]phenyl]acetamide
CID 167028467
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
CID 139895047
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1075723
2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 174785200
2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide
CID 129225457

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid?
The IUPAC name of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid (CID 139895004) is 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid?
The canonical SMILES for 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2/C=C\c2cccnc2)cc1.
What is the InChIKey of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid?
The InChIKey is ZKVZGLOSQBQRDI-HJWRWDBZSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-29-19-10-12-20(13-11-19)30(27,28)24(16-22(25)26)21-7-3-2-6-18(21)9-8-17-5-4-14-23-15-17/h2-15H,16H2,1H3,(H,25,26)/b9-8-.
What are the key properties of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid?
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid has a molecular weight of 424.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid is sourced from PubChem (CID 139895004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).