4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

C23H32N2O3S — CID 16837742

IUPAC4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(OCC)c(C)c3)ccc21
InChIInChI=1S/C23H32N2O3S/c1-4-14-25-15-6-7-20-17-19(8-10-22(20)25)12-13-24-29(26,27)21-9-11-23(28-5-2)18(3)16-21/h8-11,16-17,24H,4-7,12-15H2,1-3H3
InChIKeyFTYLOOQCSHEUER-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.08
Rot. Bonds9

About 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837742) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837742
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(OCC)c(C)c3)ccc21
InChIInChI=1S/C23H32N2O3S/c1-4-14-25-15-6-7-20-17-19(8-10-22(20)25)12-13-24-29(26,27)21-9-11-23(28-5-2)18(3)16-21/h8-11,16-17,24H,4-7,12-15H2,1-3H3
InChIKeyFTYLOOQCSHEUER-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837742) is 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(OCC)c(C)c3)ccc21.
What is the InChIKey of 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is FTYLOOQCSHEUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-4-14-25-15-6-7-20-17-19(8-10-22(20)25)12-13-24-29(26,27)21-9-11-23(28-5-2)18(3)16-21/h8-11,16-17,24H,4-7,12-15H2,1-3H3.
What are the key properties of 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).