N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C13H14N2O3S3 — CID 8936324

IUPACN-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C13H14N2O3S3/c1-9-7-19-13(14-9)20-8-12(16)15-10-4-3-5-11(6-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyZJJSBTREHCTLMA-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.59
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 8936324) has the molecular formula C13H14N2O3S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID8936324
Molecular FormulaC13H14N2O3S3
Molecular Weight342.47 g/mol
Exact Mass342.02
IUPAC NameN-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C13H14N2O3S3/c1-9-7-19-13(14-9)20-8-12(16)15-10-4-3-5-11(6-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyZJJSBTREHCTLMA-UHFFFAOYSA-N
XLogP2.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4803994
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4881188
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2088011
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2532628
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
methyl 2-chloro-5-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 3651660
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4238927
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8899935

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 8936324) is N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZJJSBTREHCTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S3/c1-9-7-19-13(14-9)20-8-12(16)15-10-4-3-5-11(6-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 342.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 8936324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).