2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide

C20H20F3NO2S — CID 91649850

IUPAC2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(NCC1(Sc2ccccc2)CC1)C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO2S/c21-20(22,23)15-6-4-5-14(11-15)12-17(25)18(26)24-13-19(9-10-19)27-16-7-2-1-3-8-16/h1-8,11,17,25H,9-10,12-13H2,(H,24,26)
InChIKeyOABPXNYPNBOTNF-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.05
Rot. Bonds7

About 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide

2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 91649850) has the molecular formula C20H20F3NO2S and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID91649850
Molecular FormulaC20H20F3NO2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(NCC1(Sc2ccccc2)CC1)C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO2S/c21-20(22,23)15-6-4-5-14(11-15)12-17(25)18(26)24-13-19(9-10-19)27-16-7-2-1-3-8-16/h1-8,11,17,25H,9-10,12-13H2,(H,24,26)
InChIKeyOABPXNYPNBOTNF-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 99787850
N-[(4-phenylsulfanyloxan-4-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90604873
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanamide
CID 99787838
N-[(4-phenylsulfanyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72717046
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 92801483
N-tert-butyl-3-[[[N'-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111557028

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 91649850) is 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide is O=C(NCC1(Sc2ccccc2)CC1)C(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OABPXNYPNBOTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2S/c21-20(22,23)15-6-4-5-14(11-15)12-17(25)18(26)24-13-19(9-10-19)27-16-7-2-1-3-8-16/h1-8,11,17,25H,9-10,12-13H2,(H,24,26).
What are the key properties of 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 395.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-phenylsulfanylcyclopropyl)methyl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 91649850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).