N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide

C17H19NO2S — CID 86845707

IUPACN-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C17H19NO2S/c1-4-20-16-10-7-14(11-12(16)2)18-17(19)13-5-8-15(21-3)9-6-13/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyPZIVAKIYNGKVCS-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.37
Rot. Bonds5

About N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide

N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide (PubChem CID 86845707) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
PubChem CID86845707
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C17H19NO2S/c1-4-20-16-10-7-14(11-12(16)2)18-17(19)13-5-8-15(21-3)9-6-13/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyPZIVAKIYNGKVCS-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558297
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide (CID 86845707) is N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide is CCOc1ccc(NC(=O)c2ccc(SC)cc2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is PZIVAKIYNGKVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-4-20-16-10-7-14(11-12(16)2)18-17(19)13-5-8-15(21-3)9-6-13/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide?
N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 86845707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).