N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide

C24H29N3O4S — CID 50794742

IUPACN-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C24H29N3O4S/c1-2-25(17-19-8-4-3-5-9-19)24(29)18-27-22-12-11-21(16-20(22)10-13-23(27)28)32(30,31)26-14-6-7-15-26/h3-5,8-9,11-12,16H,2,6-7,10,13-15,17-18H2,1H3
InChIKeyGLTNOBCYQHZVKC-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.80
Rot. Bonds7

About N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide

N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 50794742) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID50794742
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C24H29N3O4S/c1-2-25(17-19-8-4-3-5-9-19)24(29)18-27-22-12-11-21(16-20(22)10-13-23(27)28)32(30,31)26-14-6-7-15-26/h3-5,8-9,11-12,16H,2,6-7,10,13-15,17-18H2,1H3
InChIKeyGLTNOBCYQHZVKC-UHFFFAOYSA-N
XLogP2.80
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 20958718
6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
CID 119055603
N-benzyl-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122364
N-(2-methylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794705
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 50794817
N-(4-ethylphenyl)-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122334
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20958734
N-butyl-N-methyl-2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 53122452
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-ethylacetamide
CID 8692384
N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide (CID 50794742) is N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is GLTNOBCYQHZVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-2-25(17-19-8-4-3-5-9-19)24(29)18-27-22-12-11-21(16-20(22)10-13-23(27)28)32(30,31)26-14-6-7-15-26/h3-5,8-9,11-12,16H,2,6-7,10,13-15,17-18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 50794742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).