3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C18H21NO2S — CID 46466206

IUPAC3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1cc(C(=O)NCCSc2ccc(C)cc2)ccc1C
InChIInChI=1S/C18H21NO2S/c1-13-4-8-16(9-5-13)22-11-10-19-18(20)15-7-6-14(2)17(12-15)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyYLRTXGMZYJYQKP-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.83
Rot. Bonds6

About 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 46466206) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID46466206
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1cc(C(=O)NCCSc2ccc(C)cc2)ccc1C
InChIInChI=1S/C18H21NO2S/c1-13-4-8-16(9-5-13)22-11-10-19-18(20)15-7-6-14(2)17(12-15)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyYLRTXGMZYJYQKP-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]-4-prop-2-enoxybenzamide
CID 46474946
2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 78811294
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55394039
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
4-methyl-N-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24575004
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 46466206) is 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is COc1cc(C(=O)NCCSc2ccc(C)cc2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is YLRTXGMZYJYQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-4-8-16(9-5-13)22-11-10-19-18(20)15-7-6-14(2)17(12-15)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 315.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 46466206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).