N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide

C15H17FN2OS — CID 7284416

IUPACN-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H17FN2OS/c16-12-4-6-13(7-5-12)20-10-14(19)18-15(11-17)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,18,19)
InChIKeyHKHYPHAYHCCFSG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.26
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 7284416) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID7284416
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H17FN2OS/c16-12-4-6-13(7-5-12)20-10-14(19)18-15(11-17)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,18,19)
InChIKeyHKHYPHAYHCCFSG-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 7284416) is N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide is N#CC1(NC(=O)CSc2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is HKHYPHAYHCCFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-12-4-6-13(7-5-12)20-10-14(19)18-15(11-17)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,18,19).
What are the key properties of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 292.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7284416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).