N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide

C16H17NO2S — CID 29371206

IUPACN-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(CSC)c1
InChIInChI=1S/C16H17NO2S/c1-19-15-9-4-3-8-14(15)17-16(18)13-7-5-6-12(10-13)11-20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyQASMCIGLTLTWCQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide

N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 29371206) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID29371206
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(CSC)c1
InChIInChI=1S/C16H17NO2S/c1-19-15-9-4-3-8-14(15)17-16(18)13-7-5-6-12(10-13)11-20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyQASMCIGLTLTWCQ-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9162789
2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide
CID 70867899
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(methylsulfanylmethyl)benzamide
CID 24635975
N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920263
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide (CID 29371206) is N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide is COc1ccccc1NC(=O)c1cccc(CSC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is QASMCIGLTLTWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-15-9-4-3-8-14(15)17-16(18)13-7-5-6-12(10-13)11-20-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 287.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 29371206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).