2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide

C23H27N3O3S2 — CID 46302020

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
SMILESCCC(Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C23H27N3O3S2/c1-6-20(30-21-14-16(3)19-9-7-8-15(2)22(19)25-21)23(27)24-17-10-12-18(13-11-17)31(28,29)26(4)5/h7-14,20H,6H2,1-5H3,(H,24,27)
InChIKeyLRSIUXXPLUDRQK-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.61
Rot. Bonds7

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide (PubChem CID 46302020) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
PubChem CID46302020
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
SMILESCCC(Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C23H27N3O3S2/c1-6-20(30-21-14-16(3)19-9-7-8-15(2)22(19)25-21)23(27)24-17-10-12-18(13-11-17)31(28,29)26(4)5/h7-14,20H,6H2,1-5H3,(H,24,27)
InChIKeyLRSIUXXPLUDRQK-UHFFFAOYSA-N
XLogP4.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-hydroxyphenyl)butanamide
CID 46302009
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 46302023
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46302008
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302157
N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide
CID 46302000
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide
CID 46302045
N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
diethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 46302093
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302166

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide (CID 46302020) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide is CCC(Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
The InChIKey is LRSIUXXPLUDRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-6-20(30-21-14-16(3)19-9-7-8-15(2)22(19)25-21)23(27)24-17-10-12-18(13-11-17)31(28,29)26(4)5/h7-14,20H,6H2,1-5H3,(H,24,27).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide has a molecular weight of 457.62 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 46302020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).