1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H30N4O6S — CID 55374635

IUPAC1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C22H30N4O6S/c27-21-13-16(15-26(21)17-1-2-17)22(28)23-19-14-18(33(29,30)25-7-11-32-12-8-25)3-4-20(19)24-5-9-31-10-6-24/h3-4,14,16-17H,1-2,5-13,15H2,(H,23,28)
InChIKeyKJUXRFULBRWJGT-UHFFFAOYSA-N
MW478.57 g/mol
LogP0.49
Rot. Bonds6

About 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55374635) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55374635
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC Name1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C22H30N4O6S/c27-21-13-16(15-26(21)17-1-2-17)22(28)23-19-14-18(33(29,30)25-7-11-32-12-8-25)3-4-20(19)24-5-9-31-10-6-24/h3-4,14,16-17H,1-2,5-13,15H2,(H,23,28)
InChIKeyKJUXRFULBRWJGT-UHFFFAOYSA-N
XLogP0.49
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

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CID 55374603
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CID 51595823
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
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CID 7551095
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CID 113185559
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43024471
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55374635) is 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KJUXRFULBRWJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S/c27-21-13-16(15-26(21)17-1-2-17)22(28)23-19-14-18(33(29,30)25-7-11-32-12-8-25)3-4-20(19)24-5-9-31-10-6-24/h3-4,14,16-17H,1-2,5-13,15H2,(H,23,28).
What are the key properties of 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55374635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).