1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H32N2O4S — CID 133217517

IUPAC1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1C(C)C
InChIInChI=1S/C24H32N2O4S/c1-15(2)21-14-22(16(3)12-24(21)30-6)17(4)25-31(28,29)20-9-10-23-19(13-20)8-7-11-26(23)18(5)27/h9-10,12-15,17,25H,7-8,11H2,1-6H3
InChIKeyCEBJGALITDBOTG-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.47
Rot. Bonds6

About 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 133217517) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID133217517
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1C(C)C
InChIInChI=1S/C24H32N2O4S/c1-15(2)21-14-22(16(3)12-24(21)30-6)17(4)25-31(28,29)20-9-10-23-19(13-20)8-7-11-26(23)18(5)27/h9-10,12-15,17,25H,7-8,11H2,1-6H3
InChIKeyCEBJGALITDBOTG-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133217573
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133186638
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
1-acetyl-N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25490576
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 86910202
3-iodo-4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 133186440
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133186544
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 133217517) is 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is COc1cc(C)c(C(C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1C(C)C.
What is the InChIKey of 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is CEBJGALITDBOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-15(2)21-14-22(16(3)12-24(21)30-6)17(4)25-31(28,29)20-9-10-23-19(13-20)8-7-11-26(23)18(5)27/h9-10,12-15,17,25H,7-8,11H2,1-6H3.
What are the key properties of 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 444.60 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 133217517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).