4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide

C19H17N3OS — CID 145039707

IUPAC4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(SNc3ccccn3)cc2)cc1
InChIInChI=1S/C19H17N3OS/c1-14-5-7-15(8-6-14)19(23)21-16-9-11-17(12-10-16)24-22-18-4-2-3-13-20-18/h2-13H,1H3,(H,20,22)(H,21,23)
InChIKeyJUTZIPBQWUJMHR-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.76
Rot. Bonds5

About 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide

4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide (PubChem CID 145039707) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide
PubChem CID145039707
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(SNc3ccccn3)cc2)cc1
InChIInChI=1S/C19H17N3OS/c1-14-5-7-15(8-6-14)19(23)21-16-9-11-17(12-10-16)24-22-18-4-2-3-13-20-18/h2-13H,1H3,(H,20,22)(H,21,23)
InChIKeyJUTZIPBQWUJMHR-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]benzamide
CID 145039658
4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 28635441
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 6980203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide (CID 145039707) is 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(SNc3ccccn3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide?
The InChIKey is JUTZIPBQWUJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14-5-7-15(8-6-14)19(23)21-16-9-11-17(12-10-16)24-22-18-4-2-3-13-20-18/h2-13H,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide?
4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide is sourced from PubChem (CID 145039707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).