4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

C21H22N2O2S — CID 108769761

IUPAC4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cccc(C)c1OCCCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-15-8-6-9-16(2)20(15)25-13-7-12-19(24)23-21-22-18(14-26-21)17-10-4-3-5-11-17/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,22,23,24)
InChIKeyMUTGQJJSEMVZQU-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.22
Rot. Bonds7

About 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 108769761) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID108769761
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cccc(C)c1OCCCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-15-8-6-9-16(2)20(15)25-13-7-12-19(24)23-21-22-18(14-26-21)17-10-4-3-5-11-17/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,22,23,24)
InChIKeyMUTGQJJSEMVZQU-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 52715173
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 84560731
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
2-[[5-[(2,6-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 21378891
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 19206271
4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228141
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
S-[4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butyl] 2-methylpropanethioate
CID 163269958
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (CID 108769761) is 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is Cc1cccc(C)c1OCCCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MUTGQJJSEMVZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-8-6-9-16(2)20(15)25-13-7-12-19(24)23-21-22-18(14-26-21)17-10-4-3-5-11-17/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 366.49 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 108769761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).