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

C15H18F3NO3S — CID 124731048

IUPAC(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESC[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c1-9(8-23(2,21)22)14(20)19-13-7-11(13)10-5-3-4-6-12(10)15(16,17)18/h3-6,9,11,13H,7-8H2,1-2H3,(H,19,20)/t9-,11+,13+/m1/s1
InChIKeyINTAOWRDWHMPCP-CDMKHQONSA-N
MW349.37 g/mol
LogP2.36
Rot. Bonds5

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

(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 124731048) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID124731048
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESC[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c1-9(8-23(2,21)22)14(20)19-13-7-11(13)10-5-3-4-6-12(10)15(16,17)18/h3-6,9,11,13H,7-8H2,1-2H3,(H,19,20)/t9-,11+,13+/m1/s1
InChIKeyINTAOWRDWHMPCP-CDMKHQONSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95288333
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95283670
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
CID 95273586
1,3,5-trimethyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281401
1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 124731048) is (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is INTAOWRDWHMPCP-CDMKHQONSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c1-9(8-23(2,21)22)14(20)19-13-7-11(13)10-5-3-4-6-12(10)15(16,17)18/h3-6,9,11,13H,7-8H2,1-2H3,(H,19,20)/t9-,11+,13+/m1/s1.
What are the key properties of (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 349.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 124731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).