N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide

C15H12N2OS — CID 107021185

IUPACN-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H12N2OS/c1-10-2-7-13(19)8-14(10)15(18)17-12-5-3-11(9-16)4-6-12/h2-8,19H,1H3,(H,17,18)
InChIKeySLHZHPYVTYVYFU-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.41
Rot. Bonds2

About N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide

N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107021185) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107021185
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H12N2OS/c1-10-2-7-13(19)8-14(10)15(18)17-12-5-3-11(9-16)4-6-12/h2-8,19H,1H3,(H,17,18)
InChIKeySLHZHPYVTYVYFU-UHFFFAOYSA-N
XLogP3.41
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
5-[(4-cyanobenzoyl)amino]-2-methylbenzoyl chloride
CID 22667774
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide (CID 107021185) is N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is SLHZHPYVTYVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-2-7-13(19)8-14(10)15(18)17-12-5-3-11(9-16)4-6-12/h2-8,19H,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide?
N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107021185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).