(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide

C14H18F3NO2S — CID 95330378

IUPAC(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
SMILESCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2S/c1-3-7-18-13(19)10(2)21(20)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19)/t10-,21+/m1/s1
InChIKeyYESSTZRYKFHWNQ-UZJPJQLHSA-N
MW321.36 g/mol
LogP2.87
Rot. Bonds6

About (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide

(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide (PubChem CID 95330378) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
PubChem CID95330378
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
SMILESCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2S/c1-3-7-18-13(19)10(2)21(20)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19)/t10-,21+/m1/s1
InChIKeyYESSTZRYKFHWNQ-UZJPJQLHSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide
CID 95329730
(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330395
(2R)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95329028
N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
CID 96548308
N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
CID 78786742
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate
CID 70465577
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
4-[[3-(trifluoromethyl)phenyl]methylsulfinyl]butan-2-amine
CID 81195470
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
The IUPAC name of (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide (CID 95330378) is (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide is CCCNC(=O)[C@@H](C)[S@@](=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
The InChIKey is YESSTZRYKFHWNQ-UZJPJQLHSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-3-7-18-13(19)10(2)21(20)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19)/t10-,21+/m1/s1.
What are the key properties of (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide has a molecular weight of 321.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide is sourced from PubChem (CID 95330378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).