1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27N3O6S — CID 2998569

IUPAC1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O6S/c1-2-32-20-7-5-19(6-8-20)26-16-17(15-22(26)27)23(28)24-18-3-9-21(10-4-18)33(29,30)25-11-13-31-14-12-25/h3-10,17H,2,11-16H2,1H3,(H,24,28)
InChIKeyOHSTVBIBGKLMDM-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.10
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2998569) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2998569
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O6S/c1-2-32-20-7-5-19(6-8-20)26-16-17(15-22(26)27)23(28)24-18-3-9-21(10-4-18)33(29,30)25-11-13-31-14-12-25/h3-10,17H,2,11-16H2,1H3,(H,24,28)
InChIKeyOHSTVBIBGKLMDM-UHFFFAOYSA-N
XLogP2.10
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2998569) is 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OHSTVBIBGKLMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-2-32-20-7-5-19(6-8-20)26-16-17(15-22(26)27)23(28)24-18-3-9-21(10-4-18)33(29,30)25-11-13-31-14-12-25/h3-10,17H,2,11-16H2,1H3,(H,24,28).
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2998569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).