N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide

C24H28N2OS — CID 46302166

IUPACN-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C24H28N2OS/c1-7-21(24(27)25-19-10-14(2)8-15(3)11-19)28-22-13-17(5)20-12-16(4)9-18(6)23(20)26-22/h8-13,21H,7H2,1-6H3,(H,25,27)
InChIKeyOVLUYESBQXMIOF-UHFFFAOYSA-N
MW392.57 g/mol
LogP6.29
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide

N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (PubChem CID 46302166) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
PubChem CID46302166
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C24H28N2OS/c1-7-21(24(27)25-19-10-14(2)8-15(3)11-19)28-22-13-17(5)20-12-16(4)9-18(6)23(20)26-22/h8-13,21H,7H2,1-6H3,(H,25,27)
InChIKeyOVLUYESBQXMIOF-UHFFFAOYSA-N
XLogP6.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 56.29
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-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
N-(3-chloro-4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302173
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-phenoxyphenyl)butanamide
CID 46302008
N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302271
N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301827
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 4876152
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
N-(2,4-dimethylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302344
N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide
CID 46302000

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (CID 46302166) is N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is CCC(Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is OVLUYESBQXMIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-7-21(24(27)25-19-10-14(2)8-15(3)11-19)28-22-13-17(5)20-12-16(4)9-18(6)23(20)26-22/h8-13,21H,7H2,1-6H3,(H,25,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 392.57 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 46302166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).