N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide

C22H24N2OS — CID 46301803

IUPACN-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
SMILESCCc1ccc(NC(=O)C(CC)Sc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2OS/c1-4-16-10-12-17(13-11-16)23-22(25)20(5-2)26-21-14-15(3)18-8-6-7-9-19(18)24-21/h6-14,20H,4-5H2,1-3H3,(H,23,25)
InChIKeyUEVLDGBKYMQBRV-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.62
Rot. Bonds6

About N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide

N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide (PubChem CID 46301803) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
PubChem CID46301803
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
SMILESCCc1ccc(NC(=O)C(CC)Sc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2OS/c1-4-16-10-12-17(13-11-16)23-22(25)20(5-2)26-21-14-15(3)18-8-6-7-9-19(18)24-21/h6-14,20H,4-5H2,1-3H3,(H,23,25)
InChIKeyUEVLDGBKYMQBRV-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301827
N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-hydroxyphenyl)butanamide
CID 46302009
ethyl (2R)-2-(4-methylquinolin-2-yl)sulfanylbutanoate
CID 864913
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46302008
N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302157
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301909
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
N-(4-butylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305120
N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 3385592

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide (CID 46301803) is N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide is CCc1ccc(NC(=O)C(CC)Sc2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is UEVLDGBKYMQBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-4-16-10-12-17(13-11-16)23-22(25)20(5-2)26-21-14-15(3)18-8-6-7-9-19(18)24-21/h6-14,20H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 364.51 g/mol, XLogP of 5.62, 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-methylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 46301803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).