4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C21H18F3N3O3S2 — CID 37038345

IUPAC4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H18F3N3O3S2/c22-21(23,24)15-3-1-2-13(10-15)11-17-12-25-20(31-17)26-19(28)14-4-8-18(9-5-14)32(29,30)27-16-6-7-16/h1-5,8-10,12,16,27H,6-7,11H2,(H,25,26,28)
InChIKeyRLICIIDERSMJRL-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.45
Rot. Bonds7

About 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 37038345) has the molecular formula C21H18F3N3O3S2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID37038345
Molecular FormulaC21H18F3N3O3S2
Molecular Weight481.52 g/mol
Exact Mass481.07
IUPAC Name4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H18F3N3O3S2/c22-21(23,24)15-3-1-2-13(10-15)11-17-12-25-20(31-17)26-19(28)14-4-8-18(9-5-14)32(29,30)27-16-6-7-16/h1-5,8-10,12,16,27H,6-7,11H2,(H,25,26,28)
InChIKeyRLICIIDERSMJRL-UHFFFAOYSA-N
XLogP4.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]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-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
4-(imidazol-1-ylmethyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55719248
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55791645
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 24575798

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 37038345) is 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RLICIIDERSMJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3S2/c22-21(23,24)15-3-1-2-13(10-15)11-17-12-25-20(31-17)26-19(28)14-4-8-18(9-5-14)32(29,30)27-16-6-7-16/h1-5,8-10,12,16,27H,6-7,11H2,(H,25,26,28).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 481.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 37038345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).