3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C13H14N2O3S2 — CID 110313136

IUPAC3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCCc2cscn2)c1
InChIInChI=1S/C13H14N2O3S2/c1-20(17,18)12-4-2-3-10(7-12)13(16)14-6-5-11-8-19-9-15-11/h2-4,7-9H,5-6H2,1H3,(H,14,16)
InChIKeyVCJLOTGCJFHXFO-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.52
Rot. Bonds5

About 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 110313136) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID110313136
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCCc2cscn2)c1
InChIInChI=1S/C13H14N2O3S2/c1-20(17,18)12-4-2-3-10(7-12)13(16)14-6-5-11-8-19-9-15-11/h2-4,7-9H,5-6H2,1H3,(H,14,16)
InChIKeyVCJLOTGCJFHXFO-UHFFFAOYSA-N
XLogP1.52
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284882
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959
N-(6-iodohexyl)-3-methylsulfonylbenzamide
CID 107848585
N-[2-(1,3-thiazol-4-yl)ethyl]-8-[[3-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
CID 132606860
2-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 80537996
N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 110313136) is 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is CS(=O)(=O)c1cccc(C(=O)NCCc2cscn2)c1.
What is the InChIKey of 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is VCJLOTGCJFHXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-20(17,18)12-4-2-3-10(7-12)13(16)14-6-5-11-8-19-9-15-11/h2-4,7-9H,5-6H2,1H3,(H,14,16).
What are the key properties of 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110313136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).