N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide

C13H13NO3S2 — CID 101377782

IUPACN-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C13H13NO3S2/c1-10-2-4-12(5-3-10)19(16,17)14-13(15)8-11-6-7-18-9-11/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyWOOBFPQDNBXDOF-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.10
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide

N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide (PubChem CID 101377782) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
PubChem CID101377782
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC NameN-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C13H13NO3S2/c1-10-2-4-12(5-3-10)19(16,17)14-13(15)8-11-6-7-18-9-11/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyWOOBFPQDNBXDOF-UHFFFAOYSA-N
XLogP2.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
CID 11221413
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
methyl (2S,3R)-2-methyl-3-[(2-thiophen-3-ylacetyl)sulfamoyl]butanoate
CID 124841964
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(3,5-dimethoxyphenyl)sulfonyl-2-(4-methylphenyl)acetamide
CID 166234668
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71987649
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
N-(benzenesulfonyl)-2-(4-hydroxyphenyl)acetamide
CID 139754141

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide (CID 101377782) is N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide is Cc1ccc(S(=O)(=O)NC(=O)Cc2ccsc2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide?
The InChIKey is WOOBFPQDNBXDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-10-2-4-12(5-3-10)19(16,17)14-13(15)8-11-6-7-18-9-11/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide?
N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide has a molecular weight of 295.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 101377782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).