N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide

C14H18N2OS — CID 61120141

IUPACN-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2(C#N)CCC(C)CC2)s1
InChIInChI=1S/C14H18N2OS/c1-10-5-7-14(9-15,8-6-10)16-13(17)12-4-3-11(2)18-12/h3-4,10H,5-8H2,1-2H3,(H,16,17)
InChIKeyPONCBBWQFLIRFG-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.26
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide

N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide (PubChem CID 61120141) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
PubChem CID61120141
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2(C#N)CCC(C)CC2)s1
InChIInChI=1S/C14H18N2OS/c1-10-5-7-14(9-15,8-6-10)16-13(17)12-4-3-11(2)18-12/h3-4,10H,5-8H2,1-2H3,(H,16,17)
InChIKeyPONCBBWQFLIRFG-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-{2-[(4-methylcyclohexyl)amino]ethyl}thiophene-2-carboxamide
CID 3156892
N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 56919437
5-(acetamidomethyl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 60275142
5-methyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 155458304
5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 155572046
N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide
CID 163869327
1,8-Bis(2-thiophenecarboxamido)-p-menthane
CID 129865420
5-cyano-N-(1-fluoro-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 126782834
N-(1-cyanocyclohexyl)-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 133774377
N-(2-cyanocyclohexyl)-5-fluorothiophene-2-carboxamide
CID 146107762

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide (CID 61120141) is N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2(C#N)CCC(C)CC2)s1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide?
The InChIKey is PONCBBWQFLIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-5-7-14(9-15,8-6-10)16-13(17)12-4-3-11(2)18-12/h3-4,10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide?
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61120141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).