2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide

C27H26N2O2S — CID 46302008

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
SMILESCCC(Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H26N2O2S/c1-4-24(32-25-17-19(3)23-12-8-9-18(2)26(23)29-25)27(30)28-20-13-15-22(16-14-20)31-21-10-6-5-7-11-21/h5-17,24H,4H2,1-3H3,(H,28,30)
InChIKeyIWDFPUOHCDEDEP-UHFFFAOYSA-N
MW442.58 g/mol
LogP7.15
Rot. Bonds7

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide (PubChem CID 46302008) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
PubChem CID46302008
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
SMILESCCC(Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H26N2O2S/c1-4-24(32-25-17-19(3)23-12-8-9-18(2)26(23)29-25)27(30)28-20-13-15-22(16-14-20)31-21-10-6-5-7-11-21/h5-17,24H,4H2,1-3H3,(H,28,30)
InChIKeyIWDFPUOHCDEDEP-UHFFFAOYSA-N
XLogP7.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-hydroxyphenyl)butanamide
CID 46302009
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 46302023
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302157
N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide
CID 46302000
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
diethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 46302093
N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide (CID 46302008) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide is CCC(Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide?
The InChIKey is IWDFPUOHCDEDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c1-4-24(32-25-17-19(3)23-12-8-9-18(2)26(23)29-25)27(30)28-20-13-15-22(16-14-20)31-21-10-6-5-7-11-21/h5-17,24H,4H2,1-3H3,(H,28,30).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide has a molecular weight of 442.58 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 46302008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).