N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C20H20N2O3S3 — CID 39177524

IUPACN-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C20H20N2O3S3/c1-13-18(27-20(21-13)14-10-11-26-12-14)19(23)22-15-6-8-17(9-7-15)28(24,25)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,22,23)
InChIKeyUMZRJBOCTBKRIO-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.15
Rot. Bonds5

About N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 39177524) has the molecular formula C20H20N2O3S3 and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID39177524
Molecular FormulaC20H20N2O3S3
Molecular Weight432.59 g/mol
Exact Mass432.06
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C20H20N2O3S3/c1-13-18(27-20(21-13)14-10-11-26-12-14)19(23)22-15-6-8-17(9-7-15)28(24,25)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,22,23)
InChIKeyUMZRJBOCTBKRIO-UHFFFAOYSA-N
XLogP5.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 31404653
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25497583
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801114
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
1-(4-fluorophenyl)-3-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 9085390
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103774105
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24661436
2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 38304433
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 39177524) is N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UMZRJBOCTBKRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S3/c1-13-18(27-20(21-13)14-10-11-26-12-14)19(23)22-15-6-8-17(9-7-15)28(24,25)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,22,23).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39177524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).