2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C22H24ClN3O3S2 — CID 36607706

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H24ClN3O3S2/c1-15(2)26-31(28,29)14-17-9-7-16(8-10-17)12-24-21(27)11-18-13-30-22(25-18)19-5-3-4-6-20(19)23/h3-10,13,15,26H,11-12,14H2,1-2H3,(H,24,27)
InChIKeyVXCCCSDSBCKILU-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.15
Rot. Bonds9

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 36607706) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID36607706
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H24ClN3O3S2/c1-15(2)26-31(28,29)14-17-9-7-16(8-10-17)12-24-21(27)11-18-13-30-22(25-18)19-5-3-4-6-20(19)23/h3-10,13,15,26H,11-12,14H2,1-2H3,(H,24,27)
InChIKeyVXCCCSDSBCKILU-UHFFFAOYSA-N
XLogP4.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 36607706) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is VXCCCSDSBCKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-15(2)26-31(28,29)14-17-9-7-16(8-10-17)12-24-21(27)11-18-13-30-22(25-18)19-5-3-4-6-20(19)23/h3-10,13,15,26H,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 478.04 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 36607706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).