N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide

C17H19NO2S — CID 38005257

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccccc1SC
InChIInChI=1S/C17H19NO2S/c1-18(12-13-8-4-6-10-15(13)20-2)17(19)14-9-5-7-11-16(14)21-3/h4-11H,12H2,1-3H3
InChIKeyLTIUCIRWASOGES-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide (PubChem CID 38005257) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
PubChem CID38005257
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccccc1SC
InChIInChI=1S/C17H19NO2S/c1-18(12-13-8-4-6-10-15(13)20-2)17(19)14-9-5-7-11-16(14)21-3/h4-11H,12H2,1-3H3
InChIKeyLTIUCIRWASOGES-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55343590
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405690
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide (CID 38005257) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide is COc1ccccc1CN(C)C(=O)c1ccccc1SC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
The InChIKey is LTIUCIRWASOGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(12-13-8-4-6-10-15(13)20-2)17(19)14-9-5-7-11-16(14)21-3/h4-11H,12H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide is sourced from PubChem (CID 38005257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).