N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C20H20BrN3O3S2 — CID 24586401

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc(C)c1C
InChIInChI=1S/C20H20BrN3O3S2/c1-12-8-15(10-18(13(12)2)29(26,27)22-3)19(25)24-20-23-11-17(28-20)9-14-4-6-16(21)7-5-14/h4-8,10-11,22H,9H2,1-3H3,(H,23,24,25)
InChIKeyOLPFYUSBKMPMDR-UHFFFAOYSA-N
MW494.44 g/mol
LogP4.27
Rot. Bonds6

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 24586401) has the molecular formula C20H20BrN3O3S2 and a molecular weight of 494.44 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID24586401
Molecular FormulaC20H20BrN3O3S2
Molecular Weight494.44 g/mol
Exact Mass493.01
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc(C)c1C
InChIInChI=1S/C20H20BrN3O3S2/c1-12-8-15(10-18(13(12)2)29(26,27)22-3)19(25)24-20-23-11-17(28-20)9-14-4-6-16(21)7-5-14/h4-8,10-11,22H,9H2,1-3H3,(H,23,24,25)
InChIKeyOLPFYUSBKMPMDR-UHFFFAOYSA-N
XLogP4.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)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

4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
3-(dimethylsulfamoyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dimethylbenzamide
CID 39221332
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 37149211
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 24586415
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 52648387
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 55845141
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30291826

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 24586401) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc(C)c1C.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is OLPFYUSBKMPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S2/c1-12-8-15(10-18(13(12)2)29(26,27)22-3)19(25)24-20-23-11-17(28-20)9-14-4-6-16(21)7-5-14/h4-8,10-11,22H,9H2,1-3H3,(H,23,24,25).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 494.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 24586401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).