N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C24H19ClN2O4S2 — CID 59786292

IUPACN-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C24H19ClN2O4S2/c25-19-11-12-22(31-15-17-7-3-1-4-8-17)18(13-19)14-23-26-21(16-32-23)24(28)27-33(29,30)20-9-5-2-6-10-20/h1-13,16H,14-15H2,(H,27,28)
InChIKeyJSXCZAQKBZCWSX-UHFFFAOYSA-N
MW499.01 g/mol
LogP5.09
Rot. Bonds8

About N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 59786292) has the molecular formula C24H19ClN2O4S2 and a molecular weight of 499.01 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID59786292
Molecular FormulaC24H19ClN2O4S2
Molecular Weight499.01 g/mol
Exact Mass498.05
IUPAC NameN-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C24H19ClN2O4S2/c25-19-11-12-22(31-15-17-7-3-1-4-8-17)18(13-19)14-23-26-21(16-32-23)24(28)27-33(29,30)20-9-5-2-6-10-20/h1-13,16H,14-15H2,(H,27,28)
InChIKeyJSXCZAQKBZCWSX-UHFFFAOYSA-N
XLogP5.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 11978486
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59786378
tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
CID 59786319
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
CID 71519482
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
CID 59786346
2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786429
ethyl 2-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786310
N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
CID 11498213
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
ethyl 2-[[5-chloro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786522

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 59786292) is N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JSXCZAQKBZCWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4S2/c25-19-11-12-22(31-15-17-7-3-1-4-8-17)18(13-19)14-23-26-21(16-32-23)24(28)27-33(29,30)20-9-5-2-6-10-20/h1-13,16H,14-15H2,(H,27,28).
What are the key properties of N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 499.01 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59786292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).