2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide

C23H20N2O2S — CID 33091613

IUPAC2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C23H20N2O2S/c1-27-20-11-5-2-8-17(20)14-15-25-23(26)19-10-4-7-13-22(19)28-21-12-6-3-9-18(21)16-24/h2-13H,14-15H2,1H3,(H,25,26)
InChIKeyNAZKWRUYFUMVDA-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.69
Rot. Bonds7

About 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 33091613) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID33091613
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C23H20N2O2S/c1-27-20-11-5-2-8-17(20)14-15-25-23(26)19-10-4-7-13-22(19)28-21-12-6-3-9-18(21)16-24/h2-13H,14-15H2,1H3,(H,25,26)
InChIKeyNAZKWRUYFUMVDA-UHFFFAOYSA-N
XLogP4.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
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2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
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CID 2195049
2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide
CID 38769783
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
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2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
CID 3670324
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 33091613) is 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1ccccc1Sc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is NAZKWRUYFUMVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-27-20-11-5-2-8-17(20)14-15-25-23(26)19-10-4-7-13-22(19)28-21-12-6-3-9-18(21)16-24/h2-13H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 33091613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).