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

C23H26N2OS — CID 46302157

IUPACN-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H26N2OS/c1-6-20(23(26)24-18-9-7-14(2)8-10-18)27-21-13-16(4)19-12-15(3)11-17(5)22(19)25-21/h7-13,20H,6H2,1-5H3,(H,24,26)
InChIKeyDYVFFCXUOVGNQK-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.98
Rot. Bonds5

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

N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (PubChem CID 46302157) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
PubChem CID46302157
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H26N2OS/c1-6-20(23(26)24-18-9-7-14(2)8-10-18)27-21-13-16(4)19-12-15(3)11-17(5)22(19)25-21/h7-13,20H,6H2,1-5H3,(H,24,26)
InChIKeyDYVFFCXUOVGNQK-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
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
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-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302271
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
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-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 46302023
N-(2,4-dimethylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302344

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (CID 46302157) is N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is CCC(Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is DYVFFCXUOVGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-6-20(23(26)24-18-9-7-14(2)8-10-18)27-21-13-16(4)19-12-15(3)11-17(5)22(19)25-21/h7-13,20H,6H2,1-5H3,(H,24,26).
What are the key properties of N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 378.54 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 46302157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).