2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide

C21H20FN3O2S — CID 7743687

IUPAC2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2c(C)cccc12
InChIInChI=1S/C21H20FN3O2S/c1-13-4-3-5-17-14(2)10-20(25-21(13)17)28-12-19(27)23-11-18(26)24-16-8-6-15(22)7-9-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDELVPJYLLQUYNJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.84
Rot. Bonds6

About 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 7743687) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID7743687
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2c(C)cccc12
InChIInChI=1S/C21H20FN3O2S/c1-13-4-3-5-17-14(2)10-20(25-21(13)17)28-12-19(27)23-11-18(26)24-16-8-6-15(22)7-9-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDELVPJYLLQUYNJ-UHFFFAOYSA-N
XLogP3.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide
CID 23606565
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7630283
propan-2-yl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 39757955
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide (CID 7743687) is 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide is Cc1cc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2c(C)cccc12.
What is the InChIKey of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is DELVPJYLLQUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-13-4-3-5-17-14(2)10-20(25-21(13)17)28-12-19(27)23-11-18(26)24-16-8-6-15(22)7-9-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7743687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).