4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C23H26N2O2S — CID 7522067

IUPAC4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C23H26N2O2S/c1-3-4-14-27-21-10-8-18(9-11-21)22(26)24-13-12-20-16-28-23(25-20)19-7-5-6-17(2)15-19/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,24,26)
InChIKeyVMLLQRVTZOCBBX-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.27
Rot. Bonds9

About 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7522067) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7522067
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C23H26N2O2S/c1-3-4-14-27-21-10-8-18(9-11-21)22(26)24-13-12-20-16-28-23(25-20)19-7-5-6-17(2)15-19/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,24,26)
InChIKeyVMLLQRVTZOCBBX-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.27
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

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35574090
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7522067) is 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is VMLLQRVTZOCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-3-4-14-27-21-10-8-18(9-11-21)22(26)24-13-12-20-16-28-23(25-20)19-7-5-6-17(2)15-19/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,24,26).
What are the key properties of 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 394.54 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7522067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).