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

C22H24N2O2S — CID 35574090

IUPAC2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H24N2O2S/c1-2-3-15-26-20-12-8-7-11-19(20)21(25)23-14-13-18-16-27-22(24-18)17-9-5-4-6-10-17/h4-12,16H,2-3,13-15H2,1H3,(H,23,25)
InChIKeyWFBQLYQJRAQQPY-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.96
Rot. Bonds9

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

2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 35574090) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID35574090
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H24N2O2S/c1-2-3-15-26-20-12-8-7-11-19(20)21(25)23-14-13-18-16-27-22(24-18)17-9-5-4-6-10-17/h4-12,16H,2-3,13-15H2,1H3,(H,23,25)
InChIKeyWFBQLYQJRAQQPY-UHFFFAOYSA-N
XLogP4.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
CID 35541456
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7522067
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
CID 91769969
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 35574090) is 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is CCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is WFBQLYQJRAQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-2-3-15-26-20-12-8-7-11-19(20)21(25)23-14-13-18-16-27-22(24-18)17-9-5-4-6-10-17/h4-12,16H,2-3,13-15H2,1H3,(H,23,25).
What are the key properties of 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 35574090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).