N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide

C24H28N2OS — CID 46302158

IUPACN-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCCc1ccc(NC(=O)C(CC)Sc2cc(C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C24H28N2OS/c1-6-18-8-10-19(11-9-18)25-24(27)21(7-2)28-22-14-16(4)20-13-15(3)12-17(5)23(20)26-22/h8-14,21H,6-7H2,1-5H3,(H,25,27)
InChIKeyZJQIXTQUGJLIQX-UHFFFAOYSA-N
MW392.57 g/mol
LogP6.23
Rot. Bonds6

About N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide

N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (PubChem CID 46302158) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
PubChem CID46302158
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC NameN-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCCc1ccc(NC(=O)C(CC)Sc2cc(C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C24H28N2OS/c1-6-18-8-10-19(11-9-18)25-24(27)21(7-2)28-22-14-16(4)20-13-15(3)12-17(5)23(20)26-22/h8-14,21H,6-7H2,1-5H3,(H,25,27)
InChIKeyZJQIXTQUGJLIQX-UHFFFAOYSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302157
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302166
N-(3-chloro-4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302173
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-hydroxyphenyl)butanamide
CID 46302009
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46302008
2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 46302269
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 46302023
N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302271
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (CID 46302158) is N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is CCc1ccc(NC(=O)C(CC)Sc2cc(C)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is ZJQIXTQUGJLIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-6-18-8-10-19(11-9-18)25-24(27)21(7-2)28-22-14-16(4)20-13-15(3)12-17(5)23(20)26-22/h8-14,21H,6-7H2,1-5H3,(H,25,27).
What are the key properties of N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 392.57 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 46302158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).