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

C24H29N3O5S — CID 4968758

IUPAC1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-3-18-5-8-21(9-6-18)27-16-19(14-23(27)28)24(29)25-20-7-4-17(2)22(15-20)33(30,31)26-10-12-32-13-11-26/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,29)
InChIKeyQECMXCRSTCIXAS-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.57
Rot. Bonds6

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

1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4968758) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4968758
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-3-18-5-8-21(9-6-18)27-16-19(14-23(27)28)24(29)25-20-7-4-17(2)22(15-20)33(30,31)26-10-12-32-13-11-26/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,29)
InChIKeyQECMXCRSTCIXAS-UHFFFAOYSA-N
XLogP2.57
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 4968758) is 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QECMXCRSTCIXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-3-18-5-8-21(9-6-18)27-16-19(14-23(27)28)24(29)25-20-7-4-17(2)22(15-20)33(30,31)26-10-12-32-13-11-26/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4968758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).