N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide

C22H21NO2S — CID 28771995

IUPACN-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-8-13-21(25-2)20(14-16)23-22(24)18-11-9-17(10-12-18)15-26-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyZOYBPWUOJMWESQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.55
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide

N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide (PubChem CID 28771995) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
PubChem CID28771995
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-8-13-21(25-2)20(14-16)23-22(24)18-11-9-17(10-12-18)15-26-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyZOYBPWUOJMWESQ-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 82179481
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide (CID 28771995) is N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is ZOYBPWUOJMWESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-8-13-21(25-2)20(14-16)23-22(24)18-11-9-17(10-12-18)15-26-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 363.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 28771995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).