2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide

C16H17NO2S — CID 842272

IUPAC2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H17NO2S/c1-11-4-6-12(7-5-11)17-16(18)14-9-8-13(20-3)10-15(14)19-2/h4-10H,1-3H3,(H,17,18)
InChIKeySZMZDGRRUAMHNH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.98
Rot. Bonds4

About 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide

2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide (PubChem CID 842272) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide
PubChem CID842272
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H17NO2S/c1-11-4-6-12(7-5-11)17-16(18)14-9-8-13(20-3)10-15(14)19-2/h4-10H,1-3H3,(H,17,18)
InChIKeySZMZDGRRUAMHNH-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide 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

N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
(2,3-Dihydro-indol-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)-methanone
CID 602616
N-(2-methoxyphenyl)-2-(methylthio)benzamide
CID 313103
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
CID 1007805
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
Benzamide, 2-methoxy-N-(2,3-dihydro-1-methylsulfonyl-5-indolyl)-4-methylthio-
CID 602438
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 802814
2-Methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 1075656
1-[2-Methoxy-4-(methylsulfanyl)benzoyl]-4-(2-methoxyphenyl)piperazine
CID 1147568

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide (CID 842272) is 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is SZMZDGRRUAMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-4-6-12(7-5-11)17-16(18)14-9-8-13(20-3)10-15(14)19-2/h4-10H,1-3H3,(H,17,18).
What are the key properties of 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide?
2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 842272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).