(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide

C15H18ClF3N2O4S — CID 54669875

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF3N2O4S/c16-10-1-3-12(4-2-10)26(23,24)21(9-11-6-8-25-11)13(14(20)22)5-7-15(17,18)19/h1-4,11,13H,5-9H2,(H2,20,22)/t11-,13+/m0/s1
InChIKeyAUVYIYPXJRILLE-WCQYABFASA-N
MW414.83 g/mol
LogP2.32
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 54669875) has the molecular formula C15H18ClF3N2O4S and a molecular weight of 414.83 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID54669875
Molecular FormulaC15H18ClF3N2O4S
Molecular Weight414.83 g/mol
Exact Mass414.06
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF3N2O4S/c16-10-1-3-12(4-2-10)26(23,24)21(9-11-6-8-25-11)13(14(20)22)5-7-15(17,18)19/h1-4,11,13H,5-9H2,(H2,20,22)/t11-,13+/m0/s1
InChIKeyAUVYIYPXJRILLE-WCQYABFASA-N
XLogP2.32
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide 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 (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (CID 54669875) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is AUVYIYPXJRILLE-WCQYABFASA-N. The full InChI is InChI=1S/C15H18ClF3N2O4S/c16-10-1-3-12(4-2-10)26(23,24)21(9-11-6-8-25-11)13(14(20)22)5-7-15(17,18)19/h1-4,11,13H,5-9H2,(H2,20,22)/t11-,13+/m0/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 414.83 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 54669875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).