(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide

C19H17FN2OS — CID 27260653

IUPAC(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H17FN2OS/c1-2-17(19(23)22-16-10-6-4-8-14(16)20)24-18-12-11-13-7-3-5-9-15(13)21-18/h3-12,17H,2H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyZSDCQCKZQFMUKU-QGZVFWFLSA-N
MW340.42 g/mol
LogP4.88
Rot. Bonds5

About (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide

(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide (PubChem CID 27260653) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide
PubChem CID27260653
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H17FN2OS/c1-2-17(19(23)22-16-10-6-4-8-14(16)20)24-18-12-11-13-7-3-5-9-15(13)21-18/h3-12,17H,2H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyZSDCQCKZQFMUKU-QGZVFWFLSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46300902
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 42739159
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23858589
N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23970279
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 3502941
N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23801417
2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 18894352
N-(2-fluorophenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]butanamide
CID 53293220
N-(2-fluorophenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 136684882
1-(2-fluorophenyl)-3-quinolin-2-ylurea
CID 2812960

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide (CID 27260653) is (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide is CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide?
The InChIKey is ZSDCQCKZQFMUKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-2-17(19(23)22-16-10-6-4-8-14(16)20)24-18-12-11-13-7-3-5-9-15(13)21-18/h3-12,17H,2H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide?
(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide has a molecular weight of 340.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide is sourced from PubChem (CID 27260653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).