N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide

C20H18Cl2N2OS — CID 46301827

IUPACN-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)c2ccccc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N2OS/c1-3-18(20(25)23-15-10-13(21)9-14(22)11-15)26-19-8-12(2)16-6-4-5-7-17(16)24-19/h4-11,18H,3H2,1-2H3,(H,23,25)
InChIKeyWDUKXVGRLOOVMG-UHFFFAOYSA-N
MW405.35 g/mol
LogP6.36
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide

N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide (PubChem CID 46301827) has the molecular formula C20H18Cl2N2OS and a molecular weight of 405.35 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
PubChem CID46301827
Molecular FormulaC20H18Cl2N2OS
Molecular Weight405.35 g/mol
Exact Mass404.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)c2ccccc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N2OS/c1-3-18(20(25)23-15-10-13(21)9-14(22)11-15)26-19-8-12(2)16-6-4-5-7-17(16)24-19/h4-11,18H,3H2,1-2H3,(H,23,25)
InChIKeyWDUKXVGRLOOVMG-UHFFFAOYSA-N
XLogP6.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
ethyl (2R)-2-(4-methylquinolin-2-yl)sulfanylbutanoate
CID 864913
N-(3,5-dichlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304688
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-hydroxyphenyl)butanamide
CID 46302009
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301909
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46302008
N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 3385592
N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide
CID 46302000
N-(4-chlorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305138
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302166

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide (CID 46301827) is N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide is CCC(Sc1cc(C)c2ccccc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is WDUKXVGRLOOVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS/c1-3-18(20(25)23-15-10-13(21)9-14(22)11-15)26-19-8-12(2)16-6-4-5-7-17(16)24-19/h4-11,18H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 405.35 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 46301827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).