N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

C20H19FN2OS — CID 1169576

IUPACN-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3F)nc2c1
InChIInChI=1S/C20H19FN2OS/c1-12-8-13(2)15-10-14(3)20(23-18(15)9-12)25-11-19(24)22-17-7-5-4-6-16(17)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyLULNAQGIKJRWNX-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.03
Rot. Bonds4

About N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1169576) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1169576
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3F)nc2c1
InChIInChI=1S/C20H19FN2OS/c1-12-8-13(2)15-10-14(3)20(23-18(15)9-12)25-11-19(24)22-17-7-5-4-6-16(17)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyLULNAQGIKJRWNX-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1154238
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176179
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1440322
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1450315
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1442417
methyl 2-[[2-(3,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1373381
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176176

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (CID 1169576) is N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3F)nc2c1.
What is the InChIKey of N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is LULNAQGIKJRWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-12-8-13(2)15-10-14(3)20(23-18(15)9-12)25-11-19(24)22-17-7-5-4-6-16(17)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 354.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1169576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).