4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide

C21H24N2O3S2 — CID 8940627

IUPAC4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
SMILESCCOc1ccc(OCCCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1
InChIInChI=1S/C21H24N2O3S2/c1-3-25-16-6-8-17(9-7-16)26-12-4-5-21(24)22-13-18-10-11-20(28-18)19-14-27-15(2)23-19/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyKLFTYETXMADOJM-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.05
Rot. Bonds10

About 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide

4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide (PubChem CID 8940627) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
PubChem CID8940627
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC Name4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
SMILESCCOc1ccc(OCCCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1
InChIInChI=1S/C21H24N2O3S2/c1-3-25-16-6-8-17(9-7-16)26-12-4-5-21(24)22-13-18-10-11-20(28-18)19-14-27-15(2)23-19/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyKLFTYETXMADOJM-UHFFFAOYSA-N
XLogP5.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
2-[[4-(4-ethoxyphenoxy)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245291
2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24552712
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide
CID 42575022
2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
(3R)-3-acetamido-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-phenylpropanamide
CID 8940560
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8940929
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108737351

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide (CID 8940627) is 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide is CCOc1ccc(OCCCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide?
The InChIKey is KLFTYETXMADOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-3-25-16-6-8-17(9-7-16)26-12-4-5-21(24)22-13-18-10-11-20(28-18)19-14-27-15(2)23-19/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide?
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide has a molecular weight of 416.57 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide is sourced from PubChem (CID 8940627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).