1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

C17H23F3N4O4S — CID 55793506

IUPAC1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)N2CCCC2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N4O4S/c1-21-29(27,28)10-13-6-4-12(5-7-13)9-22-16(26)24-8-2-3-14(24)15(25)23-11-17(18,19)20/h4-7,14,21H,2-3,8-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyMVWULLYSYKXHFI-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.09
Rot. Bonds7

About 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 55793506) has the molecular formula C17H23F3N4O4S and a molecular weight of 436.46 g/mol. Its IUPAC name is 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID55793506
Molecular FormulaC17H23F3N4O4S
Molecular Weight436.46 g/mol
Exact Mass436.14
IUPAC Name1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)N2CCCC2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N4O4S/c1-21-29(27,28)10-13-6-4-12(5-7-13)9-22-16(26)24-8-2-3-14(24)15(25)23-11-17(18,19)20/h4-7,14,21H,2-3,8-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyMVWULLYSYKXHFI-UHFFFAOYSA-N
XLogP1.09
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 55835703
1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 47048348
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 52513638
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94592974

Frequently Asked Questions

What is the IUPAC name of 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (CID 55793506) is 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCCC2C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MVWULLYSYKXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O4S/c1-21-29(27,28)10-13-6-4-12(5-7-13)9-22-16(26)24-8-2-3-14(24)15(25)23-11-17(18,19)20/h4-7,14,21H,2-3,8-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 436.46 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 55793506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).