N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide

C21H22N2O3S — CID 37010082

IUPACN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCCOc2ccccc2)n1
InChIInChI=1S/C21H22N2O3S/c1-15-10-11-19(25-2)17(13-15)18-14-27-21(22-18)23-20(24)9-6-12-26-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23,24)
InChIKeySNAUDPLJZJESIQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.92
Rot. Bonds8

About N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide (PubChem CID 37010082) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
PubChem CID37010082
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCCOc2ccccc2)n1
InChIInChI=1S/C21H22N2O3S/c1-15-10-11-19(25-2)17(13-15)18-14-27-21(22-18)23-20(24)9-6-12-26-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23,24)
InChIKeySNAUDPLJZJESIQ-UHFFFAOYSA-N
XLogP4.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.92
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

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 32649718
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229212
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
4-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197142
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217734
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide (CID 37010082) is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide is COc1ccc(C)cc1-c1csc(NC(=O)CCCOc2ccccc2)n1.
What is the InChIKey of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide?
The InChIKey is SNAUDPLJZJESIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-10-11-19(25-2)17(13-15)18-14-27-21(22-18)23-20(24)9-6-12-26-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide?
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide has a molecular weight of 382.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide is sourced from PubChem (CID 37010082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).