2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide

C24H18ClN3O3S2 — CID 58075136

IUPAC2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(Nc2ccc(/C=C/S(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C24H18ClN3O3S2/c25-18-8-12-19(13-9-18)27-23(29)22-16-26-24(32-22)28-20-10-6-17(7-11-20)14-15-33(30,31)21-4-2-1-3-5-21/h1-16H,(H,26,28)(H,27,29)/b15-14+
InChIKeyDTSUXQRUOKRTAW-CCEZHUSRSA-N
MW496.01 g/mol
LogP6.24
Rot. Bonds7

About 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide

2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 58075136) has the molecular formula C24H18ClN3O3S2 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID58075136
Molecular FormulaC24H18ClN3O3S2
Molecular Weight496.01 g/mol
Exact Mass495.05
IUPAC Name2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(Nc2ccc(/C=C/S(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C24H18ClN3O3S2/c25-18-8-12-19(13-9-18)27-23(29)22-16-26-24(32-22)28-20-10-6-17(7-11-20)14-15-33(30,31)21-4-2-1-3-5-21/h1-16H,(H,26,28)(H,27,29)/b15-14+
InChIKeyDTSUXQRUOKRTAW-CCEZHUSRSA-N
XLogP6.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide
CID 88575628
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122693201
2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 123152203
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
CID 1482526
sodium 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzoate
CID 102342332
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
CID 92913526
2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide (CID 58075136) is 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(Nc2ccc(/C=C/S(=O)(=O)c3ccccc3)cc2)s1.
What is the InChIKey of 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DTSUXQRUOKRTAW-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H18ClN3O3S2/c25-18-8-12-19(13-9-18)27-23(29)22-16-26-24(32-22)28-20-10-6-17(7-11-20)14-15-33(30,31)21-4-2-1-3-5-21/h1-16H,(H,26,28)(H,27,29)/b15-14+.
What are the key properties of 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 496.01 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(benzenesulfonyl)ethenyl]anilino]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58075136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).