2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C13H14N2O3S2 — CID 26362533

IUPAC2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n1
InChIInChI=1S/C13H14N2O3S2/c1-8-4-5-10(20(3,17)18)6-11(8)12(16)15-13-14-9(2)7-19-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyNOUJXQSGYREMJL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 26362533) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID26362533
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n1
InChIInChI=1S/C13H14N2O3S2/c1-8-4-5-10(20(3,17)18)6-11(8)12(16)15-13-14-9(2)7-19-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyNOUJXQSGYREMJL-UHFFFAOYSA-N
XLogP2.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 99169834
2-bromo-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26362599
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 26362533) is 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NOUJXQSGYREMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8-4-5-10(20(3,17)18)6-11(8)12(16)15-13-14-9(2)7-19-13/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26362533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).