4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide

C13H16N2O3S2 — CID 136513376

IUPAC4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide
SMILESN#Cc1csc(C(=O)NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C13H16N2O3S2/c14-7-11-6-12(19-8-11)13(16)15-20(17,18)9-10-4-2-1-3-5-10/h6,8,10H,1-5,9H2,(H,15,16)
InChIKeyUPFGRRMQRUQBLJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.26
Rot. Bonds4

About 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide

4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide (PubChem CID 136513376) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide
PubChem CID136513376
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide
SMILESN#Cc1csc(C(=O)NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C13H16N2O3S2/c14-7-11-6-12(19-8-11)13(16)15-20(17,18)9-10-4-2-1-3-5-10/h6,8,10H,1-5,9H2,(H,15,16)
InChIKeyUPFGRRMQRUQBLJ-UHFFFAOYSA-N
XLogP2.26
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
4-{[(3-Phenylpropyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900815
4-{[(3-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025141
4-[(4-Fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 20842956
N-(thiophene-2-sulfonyl)benzamide
CID 738706
4-[Benzyl(ethyl)sulfamoyl]thiophene-2-carboxamide
CID 20900842
4-[2-(4-Methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
CID 20937326
4-[Benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
4-(1-Phenylbutan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 20900837
N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
CID 47233291
N-(3-cyanophenyl)sulfonyl-3-methylsulfanylthiophene-2-carboxamide
CID 53611046

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide (CID 136513376) is 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide is N#Cc1csc(C(=O)NS(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide?
The InChIKey is UPFGRRMQRUQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c14-7-11-6-12(19-8-11)13(16)15-20(17,18)9-10-4-2-1-3-5-10/h6,8,10H,1-5,9H2,(H,15,16).
What are the key properties of 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide?
4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclohexylmethylsulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 136513376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).