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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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
1-(4-Methoxyphenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 6458630
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 1264006
4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811245
4-(2-{[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzenesulfonamide
CID 2869088
1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2920624
4-[2-[[1-(4-Hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 3116100
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
N-(4-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 16422713

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).