2-(4-methylsulfanylanilino)benzamide

C14H14N2OS — CID 71454817

IUPAC2-(4-methylsulfanylanilino)benzamide
SMILESCSc1ccc(Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C14H14N2OS/c1-18-11-8-6-10(7-9-11)16-13-5-3-2-4-12(13)14(15)17/h2-9,16H,1H3,(H2,15,17)
InChIKeyGDOKWBQKKRUFJQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-methylsulfanylanilino)benzamide

2-(4-methylsulfanylanilino)benzamide (PubChem CID 71454817) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(4-methylsulfanylanilino)benzamide.

Molecular Properties

Compound Name2-(4-methylsulfanylanilino)benzamide
PubChem CID71454817
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(4-methylsulfanylanilino)benzamide
SMILESCSc1ccc(Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C14H14N2OS/c1-18-11-8-6-10(7-9-11)16-13-5-3-2-4-12(13)14(15)17/h2-9,16H,1H3,(H2,15,17)
InChIKeyGDOKWBQKKRUFJQ-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylanilino)benzamide?
The IUPAC name of 2-(4-methylsulfanylanilino)benzamide (CID 71454817) is 2-(4-methylsulfanylanilino)benzamide.
What is the SMILES notation for 2-(4-methylsulfanylanilino)benzamide?
The canonical SMILES for 2-(4-methylsulfanylanilino)benzamide is CSc1ccc(Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-(4-methylsulfanylanilino)benzamide?
The InChIKey is GDOKWBQKKRUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-18-11-8-6-10(7-9-11)16-13-5-3-2-4-12(13)14(15)17/h2-9,16H,1H3,(H2,15,17).
What are the key properties of 2-(4-methylsulfanylanilino)benzamide?
2-(4-methylsulfanylanilino)benzamide has a molecular weight of 258.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylanilino)benzamide is sourced from PubChem (CID 71454817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).