2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C22H22N2OS — CID 1313353

IUPAC2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H22N2OS/c23-16-18-10-4-6-12-20(18)26-21-13-7-5-11-19(21)22(25)24-15-14-17-8-2-1-3-9-17/h4-8,10-13H,1-3,9,14-15H2,(H,24,25)
InChIKeyXHWZTLOFJJTYGK-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.33
Rot. Bonds6

About 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 1313353) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID1313353
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H22N2OS/c23-16-18-10-4-6-12-20(18)26-21-13-7-5-11-19(21)22(25)24-15-14-17-8-2-1-3-9-17/h4-8,10-13H,1-3,9,14-15H2,(H,24,25)
InChIKeyXHWZTLOFJJTYGK-UHFFFAOYSA-N
XLogP5.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
CID 126454615
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-[(2-cyanoacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 168520690
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 33091613
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
5-N-(2-cyanophenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103382
2-[[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119179308
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 1313353) is 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide is N#Cc1ccccc1Sc1ccccc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is XHWZTLOFJJTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c23-16-18-10-4-6-12-20(18)26-21-13-7-5-11-19(21)22(25)24-15-14-17-8-2-1-3-9-17/h4-8,10-13H,1-3,9,14-15H2,(H,24,25).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 362.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 1313353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).