N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

C20H27N3O4S — CID 5209840

IUPACN-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)NC3CCCCC3)ccc2N1
InChIInChI=1S/C20H27N3O4S/c24-19-11-8-14-13-16(9-10-17(14)22-19)28(26,27)23-12-4-7-18(23)20(25)21-15-5-2-1-3-6-15/h9-10,13,15,18H,1-8,11-12H2,(H,21,25)(H,22,24)
InChIKeyYXJBKWYXTVKBNF-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.17
Rot. Bonds4

About N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide (PubChem CID 5209840) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
PubChem CID5209840
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)NC3CCCCC3)ccc2N1
InChIInChI=1S/C20H27N3O4S/c24-19-11-8-14-13-16(9-10-17(14)22-19)28(26,27)23-12-4-7-18(23)20(25)21-15-5-2-1-3-6-15/h9-10,13,15,18H,1-8,11-12H2,(H,21,25)(H,22,24)
InChIKeyYXJBKWYXTVKBNF-UHFFFAOYSA-N
XLogP2.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
(2R)-N-cyclooctyl-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 92870944
N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 46282231
(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723399
(2R)-N-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxamide
CID 35611276
N-(3-chloro-4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 5308942
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
N-[2-(4-chlorophenyl)ethyl]-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 20937190
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
N-cyclohexyl-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 46274726
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide (CID 5209840) is N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide is O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)NC3CCCCC3)ccc2N1.
What is the InChIKey of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is YXJBKWYXTVKBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-19-11-8-14-13-16(9-10-17(14)22-19)28(26,27)23-12-4-7-18(23)20(25)21-15-5-2-1-3-6-15/h9-10,13,15,18H,1-8,11-12H2,(H,21,25)(H,22,24).
What are the key properties of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 5209840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).