2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C15H18F3NO3S — CID 97213190

IUPAC2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCC(C)(C(=O)N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C15H18F3NO3S/c1-14(2,23(3,21)22)13(20)19-12-8-11(12)9-5-4-6-10(7-9)15(16,17)18/h4-7,11-12H,8H2,1-3H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyYFLDQDPXTNQQOF-VXGBXAGGSA-N
MW349.37 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide

2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 97213190) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID97213190
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCC(C)(C(=O)N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C15H18F3NO3S/c1-14(2,23(3,21)22)13(20)19-12-8-11(12)9-5-4-6-10(7-9)15(16,17)18/h4-7,11-12H,8H2,1-3H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyYFLDQDPXTNQQOF-VXGBXAGGSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95246047
6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
CID 95977242
1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60595790
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 81415478
(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide
CID 71064710
1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 128963640
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 97213190) is 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide is CC(C)(C(=O)N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is YFLDQDPXTNQQOF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c1-14(2,23(3,21)22)13(20)19-12-8-11(12)9-5-4-6-10(7-9)15(16,17)18/h4-7,11-12H,8H2,1-3H3,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 349.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 97213190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).