N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide

C21H22N2O3S2 — CID 42575022

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-19(24)15-4-6-16(7-5-15)26-12-21(25)22-11-10-17-8-9-20(28-17)18-13-27-14(2)23-18/h4-9,13H,3,10-12H2,1-2H3,(H,22,25)
InChIKeyQZAXEJIRKALCMY-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.51
Rot. Bonds9

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 42575022) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID42575022
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-19(24)15-4-6-16(7-5-15)26-12-21(25)22-11-10-17-8-9-20(28-17)18-13-27-14(2)23-18/h4-9,13H,3,10-12H2,1-2H3,(H,22,25)
InChIKeyQZAXEJIRKALCMY-UHFFFAOYSA-N
XLogP4.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide 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

2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(2-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533248
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575172
2-(2-methoxy-4-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 33216194
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251
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
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575181
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide (CID 42575022) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is QZAXEJIRKALCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-3-19(24)15-4-6-16(7-5-15)26-12-21(25)22-11-10-17-8-9-20(28-17)18-13-27-14(2)23-18/h4-9,13H,3,10-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 42575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).