2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide

C15H17NO3S2 — CID 51072491

IUPAC2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-10-6-7-12(21(3,18)19)9-13(10)15(17)16-11(2)14-5-4-8-20-14/h4-9,11H,1-3H3,(H,16,17)
InChIKeyWJXGIUPYXBEXGB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide

2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 51072491) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID51072491
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-10-6-7-12(21(3,18)19)9-13(10)15(17)16-11(2)14-5-4-8-20-14/h4-9,11H,1-3H3,(H,16,17)
InChIKeyWJXGIUPYXBEXGB-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 81389842
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N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
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N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
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N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
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2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 24613765
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
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CID 80958201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide (CID 51072491) is 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)c1cccs1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is WJXGIUPYXBEXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10-6-7-12(21(3,18)19)9-13(10)15(17)16-11(2)14-5-4-8-20-14/h4-9,11H,1-3H3,(H,16,17).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide?
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 51072491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).