N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide

C16H21N3O3S — CID 46993368

IUPACN-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCS(=O)(=O)N(C)C)c2cccc(C)c2n1
InChIInChI=1S/C16H21N3O3S/c1-11-6-5-7-13-14(10-12(2)18-15(11)13)16(20)17-8-9-23(21,22)19(3)4/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyVATCNQHYMLTEEO-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide (PubChem CID 46993368) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
PubChem CID46993368
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCS(=O)(=O)N(C)C)c2cccc(C)c2n1
InChIInChI=1S/C16H21N3O3S/c1-11-6-5-7-13-14(10-12(2)18-15(11)13)16(20)17-8-9-23(21,22)19(3)4/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyVATCNQHYMLTEEO-UHFFFAOYSA-N
XLogP1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
CID 70718889
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
N-[(3S)-3-imidazol-1-ylbutyl]-2,8-dimethylquinoline-4-carboxamide
CID 96579004
2,8-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]quinoline-4-carboxamide
CID 95194938
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide
CID 70719625
2,8-dimethyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 46997083
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide (CID 46993368) is N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)NCCS(=O)(=O)N(C)C)c2cccc(C)c2n1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide?
The InChIKey is VATCNQHYMLTEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-6-5-7-13-14(10-12(2)18-15(11)13)16(20)17-8-9-23(21,22)19(3)4/h5-7,10H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 46993368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).