2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C24H19FN2OS — CID 1440322

IUPAC2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C24H19FN2OS/c25-20-11-5-7-13-22(20)26-23(28)16-29-24-19(14-17-8-2-1-3-9-17)15-18-10-4-6-12-21(18)27-24/h1-13,15H,14,16H2,(H,26,28)
InChIKeyURDWJQRVJMWNJI-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.70
Rot. Bonds6

About 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 1440322) has the molecular formula C24H19FN2OS and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID1440322
Molecular FormulaC24H19FN2OS
Molecular Weight402.49 g/mol
Exact Mass402.12
IUPAC Name2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C24H19FN2OS/c25-20-11-5-7-13-22(20)26-23(28)16-29-24-19(14-17-8-2-1-3-9-17)15-18-10-4-6-12-21(18)27-24/h1-13,15H,14,16H2,(H,26,28)
InChIKeyURDWJQRVJMWNJI-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzylquinolin-2-yl)sulfanylacetamide
CID 857980
2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1440326
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1442417
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
N-(5-chloro-2-methoxyphenyl)-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 3207915
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174565
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 1440322) is 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1F.
What is the InChIKey of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is URDWJQRVJMWNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2OS/c25-20-11-5-7-13-22(20)26-23(28)16-29-24-19(14-17-8-2-1-3-9-17)15-18-10-4-6-12-21(18)27-24/h1-13,15H,14,16H2,(H,26,28).
What are the key properties of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1440322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).