N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide

C16H17NO2S — CID 47148827

IUPACN-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2C)cc1
InChIInChI=1S/C16H17NO2S/c1-11-4-9-14(20-3)10-15(11)16(18)17-12-5-7-13(19-2)8-6-12/h4-10H,1-3H3,(H,17,18)
InChIKeyUFDVBLWRSLHQCR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.98
Rot. Bonds4

About N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide

N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 47148827) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID47148827
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2C)cc1
InChIInChI=1S/C16H17NO2S/c1-11-4-9-14(20-3)10-15(11)16(18)17-12-5-7-13(19-2)8-6-12/h4-10H,1-3H3,(H,17,18)
InChIKeyUFDVBLWRSLHQCR-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

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55533116
N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
CID 79676305
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide (CID 47148827) is N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide is COc1ccc(NC(=O)c2cc(SC)ccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is UFDVBLWRSLHQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-4-9-14(20-3)10-15(11)16(18)17-12-5-7-13(19-2)8-6-12/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide?
N-(4-methoxyphenyl)-2-methyl-5-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 N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 47148827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).