1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide

C20H21N3O4S — CID 75526468

IUPAC1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21N3O4S/c21-20(25)18-12-7-14-4-1-2-5-17(14)23(18)28(26,27)16-10-8-15(9-11-16)22-13-3-6-19(22)24/h1-2,4-5,8-11,18H,3,6-7,12-13H2,(H2,21,25)
InChIKeyYBELYTOLIPAGMP-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide

1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 75526468) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID75526468
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21N3O4S/c21-20(25)18-12-7-14-4-1-2-5-17(14)23(18)28(26,27)16-10-8-15(9-11-16)22-13-3-6-19(22)24/h1-2,4-5,8-11,18H,3,6-7,12-13H2,(H2,21,25)
InChIKeyYBELYTOLIPAGMP-UHFFFAOYSA-N
XLogP1.81
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 75493749
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
CID 110424808
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
CID 110616863
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 120965396
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502099
methyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 110818526
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide (CID 75526468) is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide is NC(=O)C1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is YBELYTOLIPAGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c21-20(25)18-12-7-14-4-1-2-5-17(14)23(18)28(26,27)16-10-8-15(9-11-16)22-13-3-6-19(22)24/h1-2,4-5,8-11,18H,3,6-7,12-13H2,(H2,21,25).
What are the key properties of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 75526468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).