N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide

C16H20N2OS — CID 47149296

IUPACN-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ccccc2)CCCCCC1
InChIInChI=1S/C16H20N2OS/c17-13-16(10-6-1-2-7-11-16)18-15(19)12-20-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,19)
InChIKeyFYGVTNGMYZVDJQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.51
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide

N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide (PubChem CID 47149296) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
PubChem CID47149296
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ccccc2)CCCCCC1
InChIInChI=1S/C16H20N2OS/c17-13-16(10-6-1-2-7-11-16)18-15(19)12-20-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,19)
InChIKeyFYGVTNGMYZVDJQ-UHFFFAOYSA-N
XLogP3.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
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2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
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N-(1-cyanocyclopentyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
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N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
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CID 7516068
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide (CID 47149296) is N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide is N#CC1(NC(=O)CSc2ccccc2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide?
The InChIKey is FYGVTNGMYZVDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-13-16(10-6-1-2-7-11-16)18-15(19)12-20-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,19).
What are the key properties of N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide?
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide has a molecular weight of 288.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 47149296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).