4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide

C22H24N2O3S — CID 112765245

IUPAC4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C22H24N2O3S/c1-3-26-19-12-7-8-13-20(19)27-15-9-14-21(25)24(18-10-5-4-6-11-18)22-23-17(2)16-28-22/h4-8,10-13,16H,3,9,14-15H2,1-2H3
InChIKeyXRPYOICOEGYJSN-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.37
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide

4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide (PubChem CID 112765245) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
PubChem CID112765245
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C22H24N2O3S/c1-3-26-19-12-7-8-13-20(19)27-15-9-14-21(25)24(18-10-5-4-6-11-18)22-23-17(2)16-28-22/h4-8,10-13,16H,3,9,14-15H2,1-2H3
InChIKeyXRPYOICOEGYJSN-UHFFFAOYSA-N
XLogP5.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
CID 51180502
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42999079
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893
5-ethoxy-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitro-N-phenylbenzamide
CID 34053297
2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594
2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide
CID 167266698
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 16549645
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide (CID 112765245) is 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide is CCOc1ccccc1OCCCC(=O)N(c1ccccc1)c1nc(C)cs1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide?
The InChIKey is XRPYOICOEGYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-3-26-19-12-7-8-13-20(19)27-15-9-14-21(25)24(18-10-5-4-6-11-18)22-23-17(2)16-28-22/h4-8,10-13,16H,3,9,14-15H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide?
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide has a molecular weight of 396.51 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide is sourced from PubChem (CID 112765245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).