ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide

C18H24F3N3O4S — CID 144745457

IUPACethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
SMILESCC.CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)n(C)c1
InChIInChI=1S/C16H18F3N3O4S.C2H6/c1-10(2)21-27(24,25)13-8-14(22(3)9-13)15(23)20-11-5-4-6-12(7-11)26-16(17,18)19;1-2/h4-10,21H,1-3H3,(H,20,23);1-2H3
InChIKeyFQKSWMVPFJDRFB-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.89
Rot. Bonds6

About ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide

ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide (PubChem CID 144745457) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
PubChem CID144745457
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC Nameethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
SMILESCC.CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)n(C)c1
InChIInChI=1S/C16H18F3N3O4S.C2H6/c1-10(2)21-27(24,25)13-8-14(22(3)9-13)15(23)20-11-5-4-6-12(7-11)26-16(17,18)19;1-2/h4-10,21H,1-3H3,(H,20,23);1-2H3
InChIKeyFQKSWMVPFJDRFB-UHFFFAOYSA-N
XLogP3.89
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide 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-(3-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155
1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
N-(3-bromo-4,5-difluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 162030369
N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 39345340
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
The IUPAC name of ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide (CID 144745457) is ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide is CC.CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)n(C)c1.
What is the InChIKey of ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
The InChIKey is FQKSWMVPFJDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4S.C2H6/c1-10(2)21-27(24,25)13-8-14(22(3)9-13)15(23)20-11-5-4-6-12(7-11)26-16(17,18)19;1-2/h4-10,21H,1-3H3,(H,20,23);1-2H3.
What are the key properties of ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 144745457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).