4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C20H24N2O5S — CID 43990274

IUPAC4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1
InChIInChI=1S/C20H24N2O5S/c1-3-27-17-8-10-18(11-9-17)28(24,25)21-16-7-6-15-5-4-12-22(19(15)13-16)20(23)14-26-2/h6-11,13,21H,3-5,12,14H2,1-2H3
InChIKeyZREFSVRYZSLVRS-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.81
Rot. Bonds7

About 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 43990274) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID43990274
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1
InChIInChI=1S/C20H24N2O5S/c1-3-27-17-8-10-18(11-9-17)28(24,25)21-16-7-6-15-5-4-12-22(19(15)13-16)20(23)14-26-2/h6-11,13,21H,3-5,12,14H2,1-2H3
InChIKeyZREFSVRYZSLVRS-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 43955801
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955729
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
N-[4-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfamoyl]phenyl]butanamide
CID 43955789
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 154934385
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 154934365

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 43990274) is 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is ZREFSVRYZSLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-27-17-8-10-18(11-9-17)28(24,25)21-16-7-6-15-5-4-12-22(19(15)13-16)20(23)14-26-2/h6-11,13,21H,3-5,12,14H2,1-2H3.
What are the key properties of 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 43990274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).