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

C20H20N2O2S — CID 42999079

IUPAC2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c(C)c1
InChIInChI=1S/C20H20N2O2S/c1-14-9-10-18(15(2)11-14)24-12-19(23)22(17-7-5-4-6-8-17)20-21-16(3)13-25-20/h4-11,13H,12H2,1-3H3
InChIKeyADBKQTSOCBSPAL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.81
Rot. Bonds5

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

2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 42999079) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID42999079
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c(C)c1
InChIInChI=1S/C20H20N2O2S/c1-14-9-10-18(15(2)11-14)24-12-19(23)22(17-7-5-4-6-8-17)20-21-16(3)13-25-20/h4-11,13H,12H2,1-3H3
InChIKeyADBKQTSOCBSPAL-UHFFFAOYSA-N
XLogP4.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
CID 112765245
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893
2,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 43024651
2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide
CID 167266698
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
CID 55883933
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 891434
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
CID 75415495

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 42999079) is 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is ADBKQTSOCBSPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-9-10-18(15(2)11-14)24-12-19(23)22(17-7-5-4-6-8-17)20-21-16(3)13-25-20/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 352.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 42999079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).