(2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C21H21N3O4S — CID 25102712

IUPAC(2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C21H21N3O4S/c1-28-17-11-9-16(10-12-17)23-21(25)18-7-4-14-24(18)29(26,27)19-8-2-5-15-6-3-13-22-20(15)19/h2-3,5-6,8-13,18H,4,7,14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyINCLOFXHGXWKPI-SFHVURJKSA-N
MW411.48 g/mol
LogP3.04
Rot. Bonds5

About (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 25102712) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID25102712
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name(2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C21H21N3O4S/c1-28-17-11-9-16(10-12-17)23-21(25)18-7-4-14-24(18)29(26,27)19-8-2-5-15-6-3-13-22-20(15)19/h2-3,5-6,8-13,18H,4,7,14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyINCLOFXHGXWKPI-SFHVURJKSA-N
XLogP3.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[[4-methoxybenzenesulfonyl](2-quinolinylmethyl)amino]acetamide
CID 22907131
N-[4-(pentyloxy)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide
CID 1964370
2-Methoxy-5-methyl-N-(quinolin-3-yl)benzenesulfonamide
CID 24178213
Quinoline-8-sulfonic acid acetyl-(2-oxo-benzo[1,3]oxathiol-5-yl)-amide
CID 1094889
Ethyl 3-[(1-quinolin-8-ylsulfonylpyrrolidine-2-carbonyl)amino]benzoate
CID 5307116
N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5307127
N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5307253
N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5307753
N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5308004
N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5308310
N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 5308370
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5308667

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 25102712) is (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is INCLOFXHGXWKPI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-28-17-11-9-16(10-12-17)23-21(25)18-7-4-14-24(18)29(26,27)19-8-2-5-15-6-3-13-22-20(15)19/h2-3,5-6,8-13,18H,4,7,14H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25102712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).