N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide

C22H18N2OS — CID 144564242

IUPACN-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(-c2ccccc2C(=O)NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C22H18N2OS/c1-26-19-6-4-5-18(13-19)20-7-2-3-8-21(20)22(25)24-15-17-11-9-16(14-23)10-12-17/h2-13H,15H2,1H3,(H,24,25)
InChIKeySWYCPXVCOPJPLM-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.88
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide

N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide (PubChem CID 144564242) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
PubChem CID144564242
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(-c2ccccc2C(=O)NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C22H18N2OS/c1-26-19-6-4-5-18(13-19)20-7-2-3-8-21(20)22(25)24-15-17-11-9-16(14-23)10-12-17/h2-13H,15H2,1H3,(H,24,25)
InChIKeySWYCPXVCOPJPLM-UHFFFAOYSA-N
XLogP4.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
CID 90070509
2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
[2-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]phenyl]-(dimethylamino)-hydroxysulfanium
CID 144564236
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
CID 123481458
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide
CID 90070616
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 26533303

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide (CID 144564242) is N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide is CSc1cccc(-c2ccccc2C(=O)NCc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide?
The InChIKey is SWYCPXVCOPJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-26-19-6-4-5-18(13-19)20-7-2-3-8-21(20)22(25)24-15-17-11-9-16(14-23)10-12-17/h2-13H,15H2,1H3,(H,24,25).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide?
N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide has a molecular weight of 358.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 144564242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).