N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C14H22F3N3O4S — CID 110345773

IUPACN-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCS(=O)(=O)NC1CCCC1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)20-8-3-6-11(20)12(21)18-7-9-25(23,24)19-10-4-1-2-5-10/h10-11,19H,1-9H2,(H,18,21)
InChIKeyVYBQUISFKJKMBT-UHFFFAOYSA-N
MW385.41 g/mol
LogP0.52
Rot. Bonds6

About N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110345773) has the molecular formula C14H22F3N3O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110345773
Molecular FormulaC14H22F3N3O4S
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC NameN-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCS(=O)(=O)NC1CCCC1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)20-8-3-6-11(20)12(21)18-7-9-25(23,24)19-10-4-1-2-5-10/h10-11,19H,1-9H2,(H,18,21)
InChIKeyVYBQUISFKJKMBT-UHFFFAOYSA-N
XLogP0.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110345773) is N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NCCS(=O)(=O)NC1CCCC1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is VYBQUISFKJKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)20-8-3-6-11(20)12(21)18-7-9-25(23,24)19-10-4-1-2-5-10/h10-11,19H,1-9H2,(H,18,21).
What are the key properties of N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110345773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).