2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

C19H17ClN2O2S — CID 2677967

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)COc2ccc(Cl)cc2C)c2ccccc2)n1
InChIInChI=1S/C19H17ClN2O2S/c1-13-10-15(20)8-9-17(13)24-11-18(23)22(16-6-4-3-5-7-16)19-21-14(2)12-25-19/h3-10,12H,11H2,1-2H3
InChIKeyGRDWEGDGQDLYIL-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 2677967) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID2677967
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)COc2ccc(Cl)cc2C)c2ccccc2)n1
InChIInChI=1S/C19H17ClN2O2S/c1-13-10-15(20)8-9-17(13)24-11-18(23)22(16-6-4-3-5-7-16)19-21-14(2)12-25-19/h3-10,12H,11H2,1-2H3
InChIKeyGRDWEGDGQDLYIL-UHFFFAOYSA-N
XLogP5.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.88
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 2677967) is 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1csc(N(C(=O)COc2ccc(Cl)cc2C)c2ccccc2)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is GRDWEGDGQDLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-13-10-15(20)8-9-17(13)24-11-18(23)22(16-6-4-3-5-7-16)19-21-14(2)12-25-19/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 372.88 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 2677967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).