(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide

C19H14F3NOS — CID 7793139

IUPAC(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H14F3NOS/c1-11(19(24)23-16-9-8-15(20)17(21)18(16)22)25-14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,23,24)/t11-/m1/s1
InChIKeyICTIZLXBRKETBJ-LLVKDONJSA-N
MW361.39 g/mol
LogP5.38
Rot. Bonds4

About (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7793139) has the molecular formula C19H14F3NOS and a molecular weight of 361.39 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7793139
Molecular FormulaC19H14F3NOS
Molecular Weight361.39 g/mol
Exact Mass361.07
IUPAC Name(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H14F3NOS/c1-11(19(24)23-16-9-8-15(20)17(21)18(16)22)25-14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,23,24)/t11-/m1/s1
InChIKeyICTIZLXBRKETBJ-LLVKDONJSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7761137
(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 7793144
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 7806551
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide (CID 7793139) is (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide is C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is ICTIZLXBRKETBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H14F3NOS/c1-11(19(24)23-16-9-8-15(20)17(21)18(16)22)25-14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,23,24)/t11-/m1/s1.
What are the key properties of (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 361.39 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7793139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).