2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide

C13H12ClNO3S2 — CID 41340918

IUPAC2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H12ClNO3S2/c1-20(17,18)11-5-2-9(3-6-11)15-13(16)8-10-4-7-12(14)19-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyOTHCUXKPRVCYSK-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.99
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide

2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 41340918) has the molecular formula C13H12ClNO3S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID41340918
Molecular FormulaC13H12ClNO3S2
Molecular Weight329.83 g/mol
Exact Mass328.99
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H12ClNO3S2/c1-20(17,18)11-5-2-9(3-6-11)15-13(16)8-10-4-7-12(14)19-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyOTHCUXKPRVCYSK-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
N-(1-benzothiophen-5-yl)-2-(5-chlorothiophen-2-yl)acetamide
CID 41340494
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43320120
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide
CID 99840080
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide (CID 41340918) is 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is OTHCUXKPRVCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S2/c1-20(17,18)11-5-2-9(3-6-11)15-13(16)8-10-4-7-12(14)19-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 329.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 41340918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).