2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide

C13H14N2O4S2 — CID 78832417

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H14N2O4S2/c1-9-8-20-13(17)15(9)7-12(16)14-10-5-3-4-6-11(10)21(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyCCNCZFHJRSQCRC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.26
Rot. Bonds4

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 78832417) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
PubChem CID78832417
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H14N2O4S2/c1-9-8-20-13(17)15(9)7-12(16)14-10-5-3-4-6-11(10)21(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyCCNCZFHJRSQCRC-UHFFFAOYSA-N
XLogP1.26
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498551
3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358105
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 26060361
2-amino-N-[2-(2-methylsulfonylanilino)-2-oxoethyl]acetamide
CID 60849783
4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43132376
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27832679
N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912870
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 86820912
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8541617

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide (CID 78832417) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide is Cc1csc(=O)n1CC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is CCNCZFHJRSQCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9-8-20-13(17)15(9)7-12(16)14-10-5-3-4-6-11(10)21(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 78832417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).