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

C17H16F3NO2S — CID 95330395

IUPAC(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2S/c1-12(16(22)21-15-8-3-2-4-9-15)24(23)11-13-6-5-7-14(10-13)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-,24-/m1/s1
InChIKeyQFOJCTQDRLIUAY-OIRASMEMSA-N
MW355.38 g/mol
LogP3.98
Rot. Bonds5

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

(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide (PubChem CID 95330395) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
PubChem CID95330395
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2S/c1-12(16(22)21-15-8-3-2-4-9-15)24(23)11-13-6-5-7-14(10-13)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-,24-/m1/s1
InChIKeyQFOJCTQDRLIUAY-OIRASMEMSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 95332151
(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330378
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013678
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
CID 5218719
3-[[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]sulfinylmethyl]benzoic acid
CID 123109634
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940

Frequently Asked Questions

What is the IUPAC name of (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
The IUPAC name of (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide (CID 95330395) is (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide is C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
The InChIKey is QFOJCTQDRLIUAY-OIRASMEMSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-12(16(22)21-15-8-3-2-4-9-15)24(23)11-13-6-5-7-14(10-13)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-,24-/m1/s1.
What are the key properties of (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide?
(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide has a molecular weight of 355.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide is sourced from PubChem (CID 95330395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).