N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide

C24H22N4O2S — CID 54135632

IUPACN-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(-c2csc(C(C#N)C#N)n2)c1
InChIInChI=1S/C24H22N4O2S/c1-4-21(30-22-9-8-15(2)10-16(22)3)23(29)27-19-7-5-6-17(11-19)20-14-31-24(28-20)18(12-25)13-26/h5-11,14,18,21H,4H2,1-3H3,(H,27,29)
InChIKeyCTYHJTXBYCPLTA-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.35
Rot. Bonds7

About N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide

N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide (PubChem CID 54135632) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide
PubChem CID54135632
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(-c2csc(C(C#N)C#N)n2)c1
InChIInChI=1S/C24H22N4O2S/c1-4-21(30-22-9-8-15(2)10-16(22)3)23(29)27-19-7-5-6-17(11-19)20-14-31-24(28-20)18(12-25)13-26/h5-11,14,18,21H,4H2,1-3H3,(H,27,29)
InChIKeyCTYHJTXBYCPLTA-UHFFFAOYSA-N
XLogP5.35
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)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

2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 132651398
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
2-(2,4-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133251965
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
N-[3-(6-anilinoperoxysulfanyl-5-chloro-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)butanamide
CID 20669695
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805
(2R)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070616

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide (CID 54135632) is N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(-c2csc(C(C#N)C#N)n2)c1.
What is the InChIKey of N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide?
The InChIKey is CTYHJTXBYCPLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-4-21(30-22-9-8-15(2)10-16(22)3)23(29)27-19-7-5-6-17(11-19)20-14-31-24(28-20)18(12-25)13-26/h5-11,14,18,21H,4H2,1-3H3,(H,27,29).
What are the key properties of N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide?
N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide has a molecular weight of 430.53 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dicyanomethyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 54135632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).