N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide

C17H19NO3S — CID 92532211

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC)cc1OC
InChIInChI=1S/C17H19NO3S/c1-20-14-9-8-12(10-15(14)21-2)11-18-17(19)13-6-4-5-7-16(13)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyPXUNPGCRQPFGEC-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.36
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 92532211) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
PubChem CID92532211
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC)cc1OC
InChIInChI=1S/C17H19NO3S/c1-20-14-9-8-12(10-15(14)21-2)11-18-17(19)13-6-4-5-7-16(13)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyPXUNPGCRQPFGEC-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
methyl 5-[[[2-(difluoromethylsulfanyl)benzoyl]amino]methyl]-2-methoxybenzoate
CID 18189777
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-nitrobenzamide
CID 17070151
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide (CID 92532211) is N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide is COc1ccc(CNC(=O)c2ccccc2SC)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is PXUNPGCRQPFGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-14-9-8-12(10-15(14)21-2)11-18-17(19)13-6-4-5-7-16(13)22-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 92532211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).