N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide

C18H21N3O5S — CID 71305108

IUPACN-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccnc2)cc(OC)c1
InChIInChI=1S/C18H21N3O5S/c1-25-14-9-13(10-15(11-14)26-2)20-18(22)17-6-4-8-21(17)27(23,24)16-5-3-7-19-12-16/h3,5,7,9-12,17H,4,6,8H2,1-2H3,(H,20,22)
InChIKeyJBQTYIWNMGYMMQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.89
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide

N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 71305108) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID71305108
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccnc2)cc(OC)c1
InChIInChI=1S/C18H21N3O5S/c1-25-14-9-13(10-15(11-14)26-2)20-18(22)17-6-4-8-21(17)27(23,24)16-5-3-7-19-12-16/h3,5,7,9-12,17H,4,6,8H2,1-2H3,(H,20,22)
InChIKeyJBQTYIWNMGYMMQ-UHFFFAOYSA-N
XLogP1.89
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 108789805
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92887594
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
(2R)-1-(4-methoxyphenyl)sulfonyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 2319678
(2S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 99721827
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(2S)-N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131915781

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide (CID 71305108) is N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide is COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccnc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is JBQTYIWNMGYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-14-9-13(10-15(11-14)26-2)20-18(22)17-6-4-8-21(17)27(23,24)16-5-3-7-19-12-16/h3,5,7,9-12,17H,4,6,8H2,1-2H3,(H,20,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide?
N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71305108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).