N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C20H21F3N4O3S2 — CID 58538836

IUPACN-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21F3N4O3S2/c1-11-10-14(13(3)27(11)16-9-7-6-8-15(16)20(21,22)23)17(28)25-19-24-12(2)18(31-19)32(29,30)26(4)5/h6-10H,1-5H3,(H,24,25,28)
InChIKeyAZXXPBVMIULRKX-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.38
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 58538836) has the molecular formula C20H21F3N4O3S2 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID58538836
Molecular FormulaC20H21F3N4O3S2
Molecular Weight486.54 g/mol
Exact Mass486.10
IUPAC NameN-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21F3N4O3S2/c1-11-10-14(13(3)27(11)16-9-7-6-8-15(16)20(21,22)23)17(28)25-19-24-12(2)18(31-19)32(29,30)26(4)5/h6-10H,1-5H3,(H,24,25,28)
InChIKeyAZXXPBVMIULRKX-UHFFFAOYSA-N
XLogP4.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide 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-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 58538836) is N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)sc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is AZXXPBVMIULRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3S2/c1-11-10-14(13(3)27(11)16-9-7-6-8-15(16)20(21,22)23)17(28)25-19-24-12(2)18(31-19)32(29,30)26(4)5/h6-10H,1-5H3,(H,24,25,28).
What are the key properties of N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 58538836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).