2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

C22H22N2O3S — CID 16549645

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESC=CCc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c(OC)c1
InChIInChI=1S/C22H22N2O3S/c1-4-8-17-11-12-19(20(13-17)26-3)27-14-21(25)24(18-9-6-5-7-10-18)22-23-16(2)15-28-22/h4-7,9-13,15H,1,8,14H2,2-3H3
InChIKeyFXKNCVUXZOTCLI-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.93
Rot. Bonds8

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 16549645) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID16549645
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESC=CCc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c(OC)c1
InChIInChI=1S/C22H22N2O3S/c1-4-8-17-11-12-19(20(13-17)26-3)27-14-21(25)24(18-9-6-5-7-10-18)22-23-16(2)15-28-22/h4-7,9-13,15H,1,8,14H2,2-3H3
InChIKeyFXKNCVUXZOTCLI-UHFFFAOYSA-N
XLogP4.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 16549645) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is C=CCc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is FXKNCVUXZOTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-4-8-17-11-12-19(20(13-17)26-3)27-14-21(25)24(18-9-6-5-7-10-18)22-23-16(2)15-28-22/h4-7,9-13,15H,1,8,14H2,2-3H3.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 394.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 16549645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).