2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

C19H23NO5S — CID 11945350

IUPAC2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCC[S@](=O)c1ccccc1C(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C19H23NO5S/c1-5-26(22)18-9-7-6-8-14(18)19(21)20-12-13-10-16(24-3)17(25-4)11-15(13)23-2/h6-11H,5,12H2,1-4H3,(H,20,21)/t26-/m0/s1
InChIKeyHPIPTYCSSXSPDJ-SANMLTNESA-N
MW377.46 g/mol
LogP2.77
Rot. Bonds8

About 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 11945350) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID11945350
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCC[S@](=O)c1ccccc1C(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C19H23NO5S/c1-5-26(22)18-9-7-6-8-14(18)19(21)20-12-13-10-16(24-3)17(25-4)11-15(13)23-2/h6-11H,5,12H2,1-4H3,(H,20,21)/t26-/m0/s1
InChIKeyHPIPTYCSSXSPDJ-SANMLTNESA-N
XLogP2.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18196193
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 34438181
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 112827439
N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide
CID 146085028
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (CID 11945350) is 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is CC[S@](=O)c1ccccc1C(=O)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is HPIPTYCSSXSPDJ-SANMLTNESA-N. The full InChI is InChI=1S/C19H23NO5S/c1-5-26(22)18-9-7-6-8-14(18)19(21)20-12-13-10-16(24-3)17(25-4)11-15(13)23-2/h6-11H,5,12H2,1-4H3,(H,20,21)/t26-/m0/s1.
What are the key properties of 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 377.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 11945350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).