N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide

C16H17NO3S — CID 798384

IUPACN-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2SC)cc1OC
InChIInChI=1S/C16H17NO3S/c1-19-13-9-8-11(10-14(13)20-2)17-16(18)12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H,17,18)
InChIKeyIIEWYNPUPVTAMH-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.68
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide

N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide (PubChem CID 798384) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide
PubChem CID798384
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2SC)cc1OC
InChIInChI=1S/C16H17NO3S/c1-19-13-9-8-11(10-14(13)20-2)17-16(18)12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H,17,18)
InChIKeyIIEWYNPUPVTAMH-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide (CID 798384) is N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide is COc1ccc(NC(=O)c2ccccc2SC)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide?
The InChIKey is IIEWYNPUPVTAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-13-9-8-11(10-14(13)20-2)17-16(18)12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide?
N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 798384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).