3-amino-N-(2-methylsulfanylphenyl)benzamide

C14H14N2OS — CID 43702687

IUPAC3-amino-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C14H14N2OS/c1-18-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(15)9-10/h2-9H,15H2,1H3,(H,16,17)
InChIKeyDWLLYBUJNHWXMS-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.24
Rot. Bonds3

About 3-amino-N-(2-methylsulfanylphenyl)benzamide

3-amino-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 43702687) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfanylphenyl)benzamide
PubChem CID43702687
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-amino-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C14H14N2OS/c1-18-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(15)9-10/h2-9H,15H2,1H3,(H,16,17)
InChIKeyDWLLYBUJNHWXMS-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 78985049
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 126273948
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-amino-N-(2-methylsulfanylphenyl)benzamide (CID 43702687) is 3-amino-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is DWLLYBUJNHWXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-18-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(15)9-10/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(2-methylsulfanylphenyl)benzamide?
3-amino-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 258.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 43702687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).