4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide

C18H22N2O3S — CID 51099882

IUPAC4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NCCc2nc(C)cs2)c1
InChIInChI=1S/C18H22N2O3S/c1-13-12-24-18(20-13)8-9-19-17(22)7-4-10-23-16-6-3-5-15(11-16)14(2)21/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,19,22)
InChIKeyJCXHKAZDJNUCLO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.17
Rot. Bonds9

About 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide

4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 51099882) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID51099882
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NCCc2nc(C)cs2)c1
InChIInChI=1S/C18H22N2O3S/c1-13-12-24-18(20-13)8-9-19-17(22)7-4-10-23-16-6-3-5-15(11-16)14(2)21/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,19,22)
InChIKeyJCXHKAZDJNUCLO-UHFFFAOYSA-N
XLogP3.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 60621848
2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 25494031
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
CID 110398327
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 51099882) is 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide is CC(=O)c1cccc(OCCCC(=O)NCCc2nc(C)cs2)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is JCXHKAZDJNUCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-12-24-18(20-13)8-9-19-17(22)7-4-10-23-16-6-3-5-15(11-16)14(2)21/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,19,22).
What are the key properties of 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 346.45 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 51099882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).