N-(2,6-dimethylphenyl)-4-sulfanylbenzamide

C15H15NOS — CID 107021367

IUPACN-(2,6-dimethylphenyl)-4-sulfanylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H15NOS/c1-10-4-3-5-11(2)14(10)16-15(17)12-6-8-13(18)9-7-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyJZIQWWNVFHEZSJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.84
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-sulfanylbenzamide

N-(2,6-dimethylphenyl)-4-sulfanylbenzamide (PubChem CID 107021367) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-sulfanylbenzamide
PubChem CID107021367
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(2,6-dimethylphenyl)-4-sulfanylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H15NOS/c1-10-4-3-5-11(2)14(10)16-15(17)12-6-8-13(18)9-7-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyJZIQWWNVFHEZSJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide
CID 62166423
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 26894465
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-bromo-6-methylphenyl)-4-chlorobenzamide
CID 4100281

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-sulfanylbenzamide (CID 107021367) is N-(2,6-dimethylphenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-sulfanylbenzamide is Cc1cccc(C)c1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-sulfanylbenzamide?
The InChIKey is JZIQWWNVFHEZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-4-3-5-11(2)14(10)16-15(17)12-6-8-13(18)9-7-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-4-sulfanylbenzamide?
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide has a molecular weight of 257.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107021367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).