N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide

C16H19FN2OS — CID 8892716

IUPACN-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(F)cc1)C1(C#N)CCCCC1
InChIInChI=1S/C16H19FN2OS/c1-19(16(12-18)9-3-2-4-10-16)15(20)11-21-14-7-5-13(17)6-8-14/h5-8H,2-4,9-11H2,1H3
InChIKeyJYIWRMVKBAEQRC-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.60
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide

N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide (PubChem CID 8892716) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
PubChem CID8892716
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(F)cc1)C1(C#N)CCCCC1
InChIInChI=1S/C16H19FN2OS/c1-19(16(12-18)9-3-2-4-10-16)15(20)11-21-14-7-5-13(17)6-8-14/h5-8H,2-4,9-11H2,1H3
InChIKeyJYIWRMVKBAEQRC-UHFFFAOYSA-N
XLogP3.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide (CID 8892716) is N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide is CN(C(=O)CSc1ccc(F)cc1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
The InChIKey is JYIWRMVKBAEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-19(16(12-18)9-3-2-4-10-16)15(20)11-21-14-7-5-13(17)6-8-14/h5-8H,2-4,9-11H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide has a molecular weight of 306.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 8892716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).