4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C20H25NO4S — CID 55875017

IUPAC4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCCSCc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO4S/c1-5-26-13-14-6-8-16(9-7-14)20(22)21-12-15-10-17(23-2)19(25-4)18(11-15)24-3/h6-11H,5,12-13H2,1-4H3,(H,21,22)
InChIKeyINUBSVNYHISEIY-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.90
Rot. Bonds9

About 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 55875017) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID55875017
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCCSCc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO4S/c1-5-26-13-14-6-8-16(9-7-14)20(22)21-12-15-10-17(23-2)19(25-4)18(11-15)24-3/h6-11H,5,12-13H2,1-4H3,(H,21,22)
InChIKeyINUBSVNYHISEIY-UHFFFAOYSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 55884285
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59811273
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 55875017) is 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is CCSCc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is INUBSVNYHISEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-5-26-13-14-6-8-16(9-7-14)20(22)21-12-15-10-17(23-2)19(25-4)18(11-15)24-3/h6-11H,5,12-13H2,1-4H3,(H,21,22).
What are the key properties of 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55875017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).