4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C19H23NO4S — CID 55884285

IUPAC4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-5-25-12-13-6-8-14(9-7-13)19(21)20-15-10-16(22-2)18(24-4)17(11-15)23-3/h6-11H,5,12H2,1-4H3,(H,20,21)
InChIKeySTWFXHKQGIPRRQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.22
Rot. Bonds8

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

4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 55884285) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID55884285
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-5-25-12-13-6-8-14(9-7-13)19(21)20-15-10-16(22-2)18(24-4)17(11-15)23-3/h6-11H,5,12H2,1-4H3,(H,20,21)
InChIKeySTWFXHKQGIPRRQ-UHFFFAOYSA-N
XLogP4.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1270421
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809
4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46646956
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 55884285) is 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is CCSCc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is STWFXHKQGIPRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-25-12-13-6-8-14(9-7-13)19(21)20-15-10-16(22-2)18(24-4)17(11-15)23-3/h6-11H,5,12H2,1-4H3,(H,20,21).
What are the key properties of 4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 361.46 g/mol, XLogP of 4.22, 8 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)benzamide is sourced from PubChem (CID 55884285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).