N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide

C15H16N2OS — CID 112557228

IUPACN-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-8-13(16)14(9-10)17-15(18)11-4-6-12(19-2)7-5-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyMHTDWGYXDWMCLM-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.55
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide

N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide (PubChem CID 112557228) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
PubChem CID112557228
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-8-13(16)14(9-10)17-15(18)11-4-6-12(19-2)7-5-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyMHTDWGYXDWMCLM-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.55
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

N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide (CID 112557228) is N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cc(C)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is MHTDWGYXDWMCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-3-8-13(16)14(9-10)17-15(18)11-4-6-12(19-2)7-5-11/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide?
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 112557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).