N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide

C20H20ClN3O3S2 — CID 33293504

IUPACN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-3-23-29(26,27)17-9-7-14(8-10-17)19(25)24-20-22-12-16(28-20)11-15-6-4-5-13(2)18(15)21/h4-10,12,23H,3,11H2,1-2H3,(H,22,24,25)
InChIKeyGWNGFYCSSPJQHG-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.25
Rot. Bonds7

About N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide

N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide (PubChem CID 33293504) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide
PubChem CID33293504
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC NameN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-3-23-29(26,27)17-9-7-14(8-10-17)19(25)24-20-22-12-16(28-20)11-15-6-4-5-13(2)18(15)21/h4-10,12,23H,3,11H2,1-2H3,(H,22,24,25)
InChIKeyGWNGFYCSSPJQHG-UHFFFAOYSA-N
XLogP4.25
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide 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 N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide (CID 33293504) is N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)cc1.
What is the InChIKey of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is GWNGFYCSSPJQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-3-23-29(26,27)17-9-7-14(8-10-17)19(25)24-20-22-12-16(28-20)11-15-6-4-5-13(2)18(15)21/h4-10,12,23H,3,11H2,1-2H3,(H,22,24,25).
What are the key properties of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide?
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 449.99 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 33293504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).