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

C22H25N3O4S — CID 20958718

IUPACN-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1
InChIInChI=1S/C22H25N3O4S/c26-21(23-15-17-6-2-1-3-7-17)16-25-20-10-9-19(14-18(20)8-11-22(25)27)30(28,29)24-12-4-5-13-24/h1-3,6-7,9-10,14H,4-5,8,11-13,15-16H2,(H,23,26)
InChIKeyTZQRWRANNVYCNT-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.07
Rot. Bonds6

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

N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 20958718) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID20958718
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1
InChIInChI=1S/C22H25N3O4S/c26-21(23-15-17-6-2-1-3-7-17)16-25-20-10-9-19(14-18(20)8-11-22(25)27)30(28,29)24-12-4-5-13-24/h1-3,6-7,9-10,14H,4-5,8,11-13,15-16H2,(H,23,26)
InChIKeyTZQRWRANNVYCNT-UHFFFAOYSA-N
XLogP2.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122364
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 50794817
N-(2-methylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794705
N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794742
N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059040
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
N-benzyl-2-[(2S)-2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 93059545
N-[(4-methoxyphenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794787
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20958734
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 46345267
N-(4-ethylphenyl)-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122334
6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
CID 119055603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide (CID 20958718) is N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide is O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is TZQRWRANNVYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-21(23-15-17-6-2-1-3-7-17)16-25-20-10-9-19(14-18(20)8-11-22(25)27)30(28,29)24-12-4-5-13-24/h1-3,6-7,9-10,14H,4-5,8,11-13,15-16H2,(H,23,26).
What are the key properties of N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 20958718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).