1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide

C23H23N3O5S — CID 169284615

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3ccccc3)CC2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-30-18-9-11-21(12-10-18)32(28,29)26-16-20(31-19-7-3-2-4-8-19)14-22(26)23(27)25-17-6-5-13-24-15-17/h2-13,15,20,22H,14,16H2,1H3,(H,25,27)
InChIKeyXGPQGYITEDQVDR-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.94
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide

1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 169284615) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID169284615
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3ccccc3)CC2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-30-18-9-11-21(12-10-18)32(28,29)26-16-20(31-19-7-3-2-4-8-19)14-22(26)23(27)25-17-6-5-13-24-15-17/h2-13,15,20,22H,14,16H2,1H3,(H,25,27)
InChIKeyXGPQGYITEDQVDR-UHFFFAOYSA-N
XLogP2.94
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
CID 169284552
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
[(2S,4S)-1-(benzenesulfonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198960
1-(3,4-dimethoxyphenyl)sulfonyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 108789805
(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110196927
methyl (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxypyrrolidine-2-carboxylate
CID 59908685
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864360
1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
CID 2864807
(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198799
N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
CID 71305108
(2R)-1-(4-methoxyphenyl)sulfonyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 2319678
4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189078

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 169284615) is 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CC(Oc3ccccc3)CC2C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is XGPQGYITEDQVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-18-9-11-21(12-10-18)32(28,29)26-16-20(31-19-7-3-2-4-8-19)14-22(26)23(27)25-17-6-5-13-24-15-17/h2-13,15,20,22H,14,16H2,1H3,(H,25,27).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 169284615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).