N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H28N2O3S — CID 134031013

IUPACN,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC(C)C
InChIInChI=1S/C18H28N2O3S/c1-5-19(6-2)24(22,23)16-9-10-17-15(13-16)8-7-11-20(17)18(21)12-14(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyNTAKCVKHPCWRIG-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.04
Rot. Bonds6

About N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 134031013) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID134031013
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC(C)C
InChIInChI=1S/C18H28N2O3S/c1-5-19(6-2)24(22,23)16-9-10-17-15(13-16)8-7-11-20(17)18(21)12-14(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyNTAKCVKHPCWRIG-UHFFFAOYSA-N
XLogP3.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
CID 55435420
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435327
N,N-diethyl-1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55759827

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 134031013) is N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC(C)C.
What is the InChIKey of N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is NTAKCVKHPCWRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-19(6-2)24(22,23)16-9-10-17-15(13-16)8-7-11-20(17)18(21)12-14(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 352.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 134031013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).