(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C14H16F3NO3S — CID 95288333

IUPAC(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESC[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H16F3NO3S/c1-8(22(2,20)21)13(19)18-12-7-10(12)9-5-3-4-6-11(9)14(15,16)17/h3-6,8,10,12H,7H2,1-2H3,(H,18,19)/t8-,10-,12+/m1/s1
InChIKeyKCHNLPWSMXNQCH-UISBYWKRSA-N
MW335.35 g/mol
LogP2.11
Rot. Bonds4

About (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 95288333) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID95288333
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Name(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESC[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H16F3NO3S/c1-8(22(2,20)21)13(19)18-12-7-10(12)9-5-3-4-6-11(9)14(15,16)17/h3-6,8,10,12H,7H2,1-2H3,(H,18,19)/t8-,10-,12+/m1/s1
InChIKeyKCHNLPWSMXNQCH-UISBYWKRSA-N
XLogP2.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 95288333) is (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is C[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is KCHNLPWSMXNQCH-UISBYWKRSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-8(22(2,20)21)13(19)18-12-7-10(12)9-5-3-4-6-11(9)14(15,16)17/h3-6,8,10,12H,7H2,1-2H3,(H,18,19)/t8-,10-,12+/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 335.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 95288333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).