1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H30N2O3S — CID 133191767

IUPAC1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H30N2O3S/c1-3-23(20-11-10-18-7-4-5-8-19(18)15-20)25-30(28,29)22-12-13-24-21(16-22)9-6-14-26(24)17(2)27/h10-13,15-16,23,25H,3-9,14H2,1-2H3
InChIKeySPWWKMSEOXBTTH-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.29
Rot. Bonds5

About 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 133191767) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID133191767
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H30N2O3S/c1-3-23(20-11-10-18-7-4-5-8-19(18)15-20)25-30(28,29)22-12-13-24-21(16-22)9-6-14-26(24)17(2)27/h10-13,15-16,23,25H,3-9,14H2,1-2H3
InChIKeySPWWKMSEOXBTTH-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133191766
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25490576
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133235692

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 133191767) is 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCC(NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is SPWWKMSEOXBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-3-23(20-11-10-18-7-4-5-8-19(18)15-20)25-30(28,29)22-12-13-24-21(16-22)9-6-14-26(24)17(2)27/h10-13,15-16,23,25H,3-9,14H2,1-2H3.
What are the key properties of 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 426.58 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 133191767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).