1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide

C15H16F2N2OS — CID 61459503

IUPAC1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(SC(F)F)cc2)CCCCC1
InChIInChI=1S/C15H16F2N2OS/c16-14(17)21-12-6-4-11(5-7-12)19-13(20)15(10-18)8-2-1-3-9-15/h4-7,14H,1-3,8-9H2,(H,19,20)
InChIKeyOHHYKZNRCHSFMD-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.41
Rot. Bonds4

About 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide

1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 61459503) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
PubChem CID61459503
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(SC(F)F)cc2)CCCCC1
InChIInChI=1S/C15H16F2N2OS/c16-14(17)21-12-6-4-11(5-7-12)19-13(20)15(10-18)8-2-1-3-9-15/h4-7,14H,1-3,8-9H2,(H,19,20)
InChIKeyOHHYKZNRCHSFMD-UHFFFAOYSA-N
XLogP4.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 80598971
N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
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N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
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1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584279
N-(1,3-benzodioxol-5-yl)-1-cyanocyclohexane-1-carboxamide
CID 61459502
N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139535
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CID 60584373

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide (CID 61459503) is 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide is N#CC1(C(=O)Nc2ccc(SC(F)F)cc2)CCCCC1.
What is the InChIKey of 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is OHHYKZNRCHSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c16-14(17)21-12-6-4-11(5-7-12)19-13(20)15(10-18)8-2-1-3-9-15/h4-7,14H,1-3,8-9H2,(H,19,20).
What are the key properties of 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61459503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).