2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide

C17H19NO2S — CID 670832

IUPAC2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-6-13(7-5-12)11-18-17(19)15-9-8-14(21-3)10-16(15)20-2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyDMUNFYXJAPETIU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.66
Rot. Bonds5

About 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide

2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide (PubChem CID 670832) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
PubChem CID670832
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-6-13(7-5-12)11-18-17(19)15-9-8-14(21-3)10-16(15)20-2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyDMUNFYXJAPETIU-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
CID 7924721
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7768987
2-chloro-5-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2995885
2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568153
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide (CID 670832) is 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide?
The InChIKey is DMUNFYXJAPETIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-4-6-13(7-5-12)11-18-17(19)15-9-8-14(21-3)10-16(15)20-2/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide?
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 3.66, 5 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)methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 670832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).