N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide

C23H25N3O4S — CID 24666445

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
SMILESCCOc1ccc(NC(=O)Cc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H25N3O4S/c1-2-30-20-11-10-19(16-21(20)31(28,29)26-13-3-4-14-26)25-22(27)15-18-8-5-7-17-9-6-12-24-23(17)18/h5-12,16H,2-4,13-15H2,1H3,(H,25,27)
InChIKeyMEEZAAMYBKOBJC-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.60
Rot. Bonds7

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide (PubChem CID 24666445) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
PubChem CID24666445
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
SMILESCCOc1ccc(NC(=O)Cc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H25N3O4S/c1-2-30-20-11-10-19(16-21(20)31(28,29)26-13-3-4-14-26)25-22(27)15-18-8-5-7-17-9-6-12-24-23(17)18/h5-12,16H,2-4,13-15H2,1H3,(H,25,27)
InChIKeyMEEZAAMYBKOBJC-UHFFFAOYSA-N
XLogP3.60
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24624057
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 46510558
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 31009962

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide (CID 24666445) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide is CCOc1ccc(NC(=O)Cc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
The InChIKey is MEEZAAMYBKOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-2-30-20-11-10-19(16-21(20)31(28,29)26-13-3-4-14-26)25-22(27)15-18-8-5-7-17-9-6-12-24-23(17)18/h5-12,16H,2-4,13-15H2,1H3,(H,25,27).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide has a molecular weight of 439.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide is sourced from PubChem (CID 24666445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).