N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide

C20H20N2O2S — CID 7287513

IUPACN-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
SMILESCc1cccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-15-6-5-7-16(12-15)20-22-17(14-25-20)10-11-21-19(23)13-24-18-8-3-2-4-9-18/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)
InChIKeySRIJCVSDRDAATE-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.86
Rot. Bonds7

About N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide

N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide (PubChem CID 7287513) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
PubChem CID7287513
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
SMILESCc1cccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-15-6-5-7-16(12-15)20-22-17(14-25-20)10-11-21-19(23)13-24-18-8-3-2-4-9-18/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)
InChIKeySRIJCVSDRDAATE-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide (CID 7287513) is N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide is Cc1cccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)c1.
What is the InChIKey of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is SRIJCVSDRDAATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-15-6-5-7-16(12-15)20-22-17(14-25-20)10-11-21-19(23)13-24-18-8-3-2-4-9-18/h2-9,12,14H,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 352.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7287513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).