1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide

C19H24F3N3O3S — CID 52521355

IUPAC1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)n(C)c1
InChIInChI=1S/C19H24F3N3O3S/c1-12(2)8-16(13-6-5-7-14(9-13)19(20,21)22)24-18(26)17-10-15(11-25(17)4)29(27,28)23-3/h5-7,9-12,16,23H,8H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyIEEKOYRMRZXDIH-INIZCTEOSA-N
MW431.48 g/mol
LogP3.47
Rot. Bonds7

About 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide

1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide (PubChem CID 52521355) has the molecular formula C19H24F3N3O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide
PubChem CID52521355
Molecular FormulaC19H24F3N3O3S
Molecular Weight431.48 g/mol
Exact Mass431.15
IUPAC Name1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)n(C)c1
InChIInChI=1S/C19H24F3N3O3S/c1-12(2)8-16(13-6-5-7-14(9-13)19(20,21)22)24-18(26)17-10-15(11-25(17)4)29(27,28)23-3/h5-7,9-12,16,23H,8H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyIEEKOYRMRZXDIH-INIZCTEOSA-N
XLogP3.47
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]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

2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 94490887
3-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119769323
N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
CID 94025999
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide (CID 52521355) is 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)n(C)c1.
What is the InChIKey of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide?
The InChIKey is IEEKOYRMRZXDIH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24F3N3O3S/c1-12(2)8-16(13-6-5-7-14(9-13)19(20,21)22)24-18(26)17-10-15(11-25(17)4)29(27,28)23-3/h5-7,9-12,16,23H,8H2,1-4H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide?
1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide is sourced from PubChem (CID 52521355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).