N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide

C15H16N2O2S — CID 79215059

IUPACN-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
SMILESCOc1cc(N)ccc1NC(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-14-9-11(16)5-8-13(14)17-15(18)10-3-6-12(20-2)7-4-10/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyFBYJCTJVNYYLCK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.25
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide

N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide (PubChem CID 79215059) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
PubChem CID79215059
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
SMILESCOc1cc(N)ccc1NC(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-14-9-11(16)5-8-13(14)17-15(18)10-3-6-12(20-2)7-4-10/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyFBYJCTJVNYYLCK-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
N-(4-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 54852698
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
CID 104850542
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide (CID 79215059) is N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide is COc1cc(N)ccc1NC(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide?
The InChIKey is FBYJCTJVNYYLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-14-9-11(16)5-8-13(14)17-15(18)10-3-6-12(20-2)7-4-10/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide?
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide has a molecular weight of 288.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 79215059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).