4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide

C19H23NO2S — CID 28558297

IUPAC4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C19H23NO2S/c1-5-22-18-11-8-16(12-13(18)2)19(21)20-14(3)15-6-9-17(23-4)10-7-15/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyWSWIQZDNVLFMPA-AWEZNQCLSA-N
MW329.47 g/mol
LogP4.61
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide

4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 28558297) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID28558297
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C19H23NO2S/c1-5-22-18-11-8-16(12-13(18)2)19(21)20-14(3)15-6-9-17(23-4)10-7-15/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyWSWIQZDNVLFMPA-AWEZNQCLSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
3-bromo-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 81458325
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
CID 86845707
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 28558297) is 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide is CCOc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is WSWIQZDNVLFMPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-5-22-18-11-8-16(12-13(18)2)19(21)20-14(3)15-6-9-17(23-4)10-7-15/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 329.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 28558297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).