N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide

C26H22ClN3O3S — CID 24563087

IUPACN-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H22ClN3O3S/c27-19-10-12-21(13-11-19)33-16-25-29-20(17-34-25)14-24(31)30-23-9-5-4-8-22(23)26(32)28-15-18-6-2-1-3-7-18/h1-13,17H,14-16H2,(H,28,32)(H,30,31)
InChIKeyMIKQYPMQJYVFCC-UHFFFAOYSA-N
MW492.00 g/mol
LogP5.49
Rot. Bonds9

About N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 24563087) has the molecular formula C26H22ClN3O3S and a molecular weight of 492.00 g/mol. Its IUPAC name is N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID24563087
Molecular FormulaC26H22ClN3O3S
Molecular Weight492.00 g/mol
Exact Mass491.11
IUPAC NameN-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H22ClN3O3S/c27-19-10-12-21(13-11-19)33-16-25-29-20(17-34-25)14-24(31)30-23-9-5-4-8-22(23)26(32)28-15-18-6-2-1-3-7-18/h1-13,17H,14-16H2,(H,28,32)(H,30,31)
InChIKeyMIKQYPMQJYVFCC-UHFFFAOYSA-N
XLogP5.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]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

2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009590
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 35076867
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 24533421
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 33296953
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 24524700
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 55448105
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 24563087) is N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is MIKQYPMQJYVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3S/c27-19-10-12-21(13-11-19)33-16-25-29-20(17-34-25)14-24(31)30-23-9-5-4-8-22(23)26(32)28-15-18-6-2-1-3-7-18/h1-13,17H,14-16H2,(H,28,32)(H,30,31).
What are the key properties of N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 492.00 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 24563087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).