2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide

C19H24N2O2S — CID 27121782

IUPAC2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-15-6-4-8-17(12-15)23-11-10-21(2)14-19(22)20-16-7-5-9-18(13-16)24-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,20,22)
InChIKeyOGQXIVDJOMVRSF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.67
Rot. Bonds8

About 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide

2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 27121782) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID27121782
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-15-6-4-8-17(12-15)23-11-10-21(2)14-19(22)20-16-7-5-9-18(13-16)24-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,20,22)
InChIKeyOGQXIVDJOMVRSF-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197449
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
N-(3-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 17444168
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
CID 8793773
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 55839888
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide (CID 27121782) is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(C)CCOc2cccc(C)c2)c1.
What is the InChIKey of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is OGQXIVDJOMVRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-6-4-8-17(12-15)23-11-10-21(2)14-19(22)20-16-7-5-9-18(13-16)24-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,20,22).
What are the key properties of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 27121782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).