8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide

C20H22N2O4S — CID 25039412

IUPAC8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(OC)c2)c2cccnc12
InChIInChI=1S/C20H22N2O4S/c1-4-26-18-10-11-19(17-9-6-12-21-20(17)18)27(23,24)22-14(2)15-7-5-8-16(13-15)25-3/h5-14,22H,4H2,1-3H3/t14-/m1/s1
InChIKeyNZBNLJCFSYAMDY-CQSZACIVSA-N
MW386.47 g/mol
LogP3.68
Rot. Bonds7

About 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide

8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide (PubChem CID 25039412) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
PubChem CID25039412
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(OC)c2)c2cccnc12
InChIInChI=1S/C20H22N2O4S/c1-4-26-18-10-11-19(17-9-6-12-21-20(17)18)27(23,24)22-14(2)15-7-5-8-16(13-15)25-3/h5-14,22H,4H2,1-3H3/t14-/m1/s1
InChIKeyNZBNLJCFSYAMDY-CQSZACIVSA-N
XLogP3.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[diethoxyphosphoryl(phenyl)methyl]-8-ethoxyquinoline-5-sulfonamide
CID 3857191
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[1-(1-adamantyl)ethyl]-8-ethoxyquinoline-5-sulfonamide
CID 126478615
8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
CID 5186150
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide?
The IUPAC name of 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide (CID 25039412) is 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(OC)c2)c2cccnc12.
What is the InChIKey of 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide?
The InChIKey is NZBNLJCFSYAMDY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-26-18-10-11-19(17-9-6-12-21-20(17)18)27(23,24)22-14(2)15-7-5-8-16(13-15)25-3/h5-14,22H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide?
8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide is sourced from PubChem (CID 25039412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).