N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide

C23H23NO3S — CID 173203978

IUPACN-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
SMILESCOc1cccc(OC)c1CNC(=O)c1cccc(CSc2ccccc2)c1
InChIInChI=1S/C23H23NO3S/c1-26-21-12-7-13-22(27-2)20(21)15-24-23(25)18-9-6-8-17(14-18)16-28-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyJQDSMSKVRMOINA-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.93
Rot. Bonds8

About N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide

N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide (PubChem CID 173203978) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
PubChem CID173203978
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
SMILESCOc1cccc(OC)c1CNC(=O)c1cccc(CSc2ccccc2)c1
InChIInChI=1S/C23H23NO3S/c1-26-21-12-7-13-22(27-2)20(21)15-24-23(25)18-9-6-8-17(14-18)16-28-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyJQDSMSKVRMOINA-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide
CID 70366447
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 29371206
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide (CID 173203978) is N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide is COc1cccc(OC)c1CNC(=O)c1cccc(CSc2ccccc2)c1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide?
The InChIKey is JQDSMSKVRMOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-26-21-12-7-13-22(27-2)20(21)15-24-23(25)18-9-6-8-17(14-18)16-28-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,24,25).
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide?
N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 173203978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).