N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C17H20N2O3S2 — CID 9246504

IUPACN-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESCS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-24(21,22)14-9-7-12(8-10-14)15-11-23-17(18-15)19-16(20)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20)
InChIKeyIIAVTSALROJBQA-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.73
Rot. Bonds4

About N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 9246504) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID9246504
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESCS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-24(21,22)14-9-7-12(8-10-14)15-11-23-17(18-15)19-16(20)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20)
InChIKeyIIAVTSALROJBQA-UHFFFAOYSA-N
XLogP3.73
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
4-tert-butyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 9246533
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
CID 51531479
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 9246504) is N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is CS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is IIAVTSALROJBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-24(21,22)14-9-7-12(8-10-14)15-11-23-17(18-15)19-16(20)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 9246504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).