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

C17H19NO2S — CID 2264232

IUPAC3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1cccc(C(=O)NCCSc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-8-16(9-7-13)21-11-10-18-17(19)14-4-3-5-15(12-14)20-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyYRKSKAUABDEESZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.53
Rot. Bonds6

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

3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 2264232) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID2264232
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1cccc(C(=O)NCCSc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-8-16(9-7-13)21-11-10-18-17(19)14-4-3-5-15(12-14)20-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyYRKSKAUABDEESZ-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.53
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-(4-phenylbutan-2-yl)benzamide
CID 2914414
2-benzylsulfanyl-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
N-[2-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1245998
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
3,4,5-trimethoxy-N-[2-(phenylthio)ethyl]benzamide
CID 2992423
N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205
3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953119
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide
CID 7999895

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 2264232) is 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is COc1cccc(C(=O)NCCSc2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is YRKSKAUABDEESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-6-8-16(9-7-13)21-11-10-18-17(19)14-4-3-5-15(12-14)20-2/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 2264232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).