1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H27BrN2O3S — CID 55913777

IUPAC1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCN(C(C)c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C22H27BrN2O3S/c1-4-13-25(16(2)20-9-5-6-10-21(20)23)29(27,28)19-11-12-22-18(15-19)8-7-14-24(22)17(3)26/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3
InChIKeyPKPNEALMATUNKV-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.91
Rot. Bonds6

About 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55913777) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55913777
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC Name1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCN(C(C)c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C22H27BrN2O3S/c1-4-13-25(16(2)20-9-5-6-10-21(20)23)29(27,28)19-11-12-22-18(15-19)8-7-14-24(22)17(3)26/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3
InChIKeyPKPNEALMATUNKV-UHFFFAOYSA-N
XLogP4.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
[2-[(2R)-butan-2-yl]phenyl] 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 26528535
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-cyclopropyl-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60539684
N-[1-(2-bromophenyl)ethyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-sulfonamide
CID 60539947
1-[6-(4-butan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113073014
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55913793
1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435716
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55913777) is 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCCN(C(C)c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is PKPNEALMATUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-4-13-25(16(2)20-9-5-6-10-21(20)23)29(27,28)19-11-12-22-18(15-19)8-7-14-24(22)17(3)26/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3.
What are the key properties of 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 479.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55913777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).