(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide

C12H14F4N2O3S — CID 97000024

IUPAC(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C12H14F4N2O3S/c1-7(18-22(2,20)21)11(19)17-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-7,10,18H,1-2H3,(H,17,19)/t7-,10-/m1/s1
InChIKeyIXMOVXKKXMPIRM-GMSGAONNSA-N
MW342.31 g/mol
LogP1.48
Rot. Bonds5

About (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide

(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 97000024) has the molecular formula C12H14F4N2O3S and a molecular weight of 342.31 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID97000024
Molecular FormulaC12H14F4N2O3S
Molecular Weight342.31 g/mol
Exact Mass342.07
IUPAC Name(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C12H14F4N2O3S/c1-7(18-22(2,20)21)11(19)17-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-7,10,18H,1-2H3,(H,17,19)/t7-,10-/m1/s1
InChIKeyIXMOVXKKXMPIRM-GMSGAONNSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide (CID 97000024) is (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide is C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IXMOVXKKXMPIRM-GMSGAONNSA-N. The full InChI is InChI=1S/C12H14F4N2O3S/c1-7(18-22(2,20)21)11(19)17-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-7,10,18H,1-2H3,(H,17,19)/t7-,10-/m1/s1.
What are the key properties of (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 342.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 97000024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).