N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

C15H12ClN3O4S3 — CID 25405255

IUPACN-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1Cl
InChIInChI=1S/C15H12ClN3O4S3/c1-23-12-5-4-9(7-10(12)16)17-14(20)11-8-25-15(18-11)19-26(21,22)13-3-2-6-24-13/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyRYHIMXFUJYUUPT-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.92
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 25405255) has the molecular formula C15H12ClN3O4S3 and a molecular weight of 429.93 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
PubChem CID25405255
Molecular FormulaC15H12ClN3O4S3
Molecular Weight429.93 g/mol
Exact Mass428.97
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1Cl
InChIInChI=1S/C15H12ClN3O4S3/c1-23-12-5-4-9(7-10(12)16)17-14(20)11-8-25-15(18-11)19-26(21,22)13-3-2-6-24-13/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyRYHIMXFUJYUUPT-UHFFFAOYSA-N
XLogP3.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098244
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(3-chloro-4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846766
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 42109082
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24514747

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (CID 25405255) is N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is RYHIMXFUJYUUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S3/c1-23-12-5-4-9(7-10(12)16)17-14(20)11-8-25-15(18-11)19-26(21,22)13-3-2-6-24-13/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).