1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H28N2O3S — CID 17247963

IUPAC1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCCC(C)C)ccc32)cc1
InChIInChI=1S/C22H28N2O3S/c1-16(2)12-13-23-28(26,27)20-10-11-21-19(15-20)5-4-14-24(21)22(25)18-8-6-17(3)7-9-18/h6-11,15-16,23H,4-5,12-14H2,1-3H3
InChIKeyTUICZWBYGHJQJO-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17247963) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17247963
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCCC(C)C)ccc32)cc1
InChIInChI=1S/C22H28N2O3S/c1-16(2)12-13-23-28(26,27)20-10-11-21-19(15-20)5-4-14-24(21)22(25)18-8-6-17(3)7-9-18/h6-11,15-16,23H,4-5,12-14H2,1-3H3
InChIKeyTUICZWBYGHJQJO-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148959
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
N-ethyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 60557455
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17247963) is 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCCC(C)C)ccc32)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is TUICZWBYGHJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16(2)12-13-23-28(26,27)20-10-11-21-19(15-20)5-4-14-24(21)22(25)18-8-6-17(3)7-9-18/h6-11,15-16,23H,4-5,12-14H2,1-3H3.
What are the key properties of 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17247963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).