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

C14H16F3NOS — CID 124839823

IUPAC(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCS[C@H](C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NOS/c1-8(20-2)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
InChIKeyFSGSPJIMHWXKJL-UBHAPETDSA-N
MW303.35 g/mol
LogP3.43
Rot. Bonds4

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

(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 124839823) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID124839823
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCS[C@H](C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NOS/c1-8(20-2)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
InChIKeyFSGSPJIMHWXKJL-UBHAPETDSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124731048
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
2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95283670
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
(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
4-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]oxane-4-carboxamide
CID 120930074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 124839823) is (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is CS[C@H](C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is FSGSPJIMHWXKJL-UBHAPETDSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-8(20-2)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-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 303.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 124839823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).