N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide

C15H15NO2S — CID 107025570

IUPACN-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(S)cc2)cc1C
InChIInChI=1S/C15H15NO2S/c1-10-9-12(5-8-14(10)18-2)16-15(17)11-3-6-13(19)7-4-11/h3-9,19H,1-2H3,(H,16,17)
InChIKeyKJPMRUYGQKAHQV-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.54
Rot. Bonds3

About N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide

N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide (PubChem CID 107025570) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
PubChem CID107025570
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(S)cc2)cc1C
InChIInChI=1S/C15H15NO2S/c1-10-9-12(5-8-14(10)18-2)16-15(17)11-3-6-13(19)7-4-11/h3-9,19H,1-2H3,(H,16,17)
InChIKeyKJPMRUYGQKAHQV-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.54
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

3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998750
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 87032400

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide (CID 107025570) is N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide is COc1ccc(NC(=O)c2ccc(S)cc2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide?
The InChIKey is KJPMRUYGQKAHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-9-12(5-8-14(10)18-2)16-15(17)11-3-6-13(19)7-4-11/h3-9,19H,1-2H3,(H,16,17).
What are the key properties of N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide?
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107025570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).