N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide

C17H19NO2S — CID 2295662

IUPACN-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-5-7-14(12-13)20-11-10-18-17(19)15-8-3-4-9-16(15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyRATAMIMJLWWYDU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide

N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide (PubChem CID 2295662) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
PubChem CID2295662
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-5-7-14(12-13)20-11-10-18-17(19)15-8-3-4-9-16(15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyRATAMIMJLWWYDU-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'}

Analyze N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 2222974
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
N-(2-phenoxyethyl)benzamide
CID 1811246
2-(benzylsulfanyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
3-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 1580663
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
CID 2974778
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953119

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide (CID 2295662) is N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCOc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is RATAMIMJLWWYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-6-5-7-14(12-13)20-11-10-18-17(19)15-8-3-4-9-16(15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide?
N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide 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 N-[2-(3-methylphenoxy)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 2295662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).