1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H32N4O5S — CID 55374603

IUPAC1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C23H32N4O5S/c28-22-14-17(16-27(22)18-4-5-18)23(29)24-20-15-19(33(30,31)26-10-12-32-13-11-26)6-7-21(20)25-8-2-1-3-9-25/h6-7,15,17-18H,1-5,8-14,16H2,(H,24,29)
InChIKeyVXRPPRGSGKQXSF-UHFFFAOYSA-N
MW476.60 g/mol
LogP1.65
Rot. Bonds6

About 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55374603) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55374603
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C23H32N4O5S/c28-22-14-17(16-27(22)18-4-5-18)23(29)24-20-15-19(33(30,31)26-10-12-32-13-11-26)6-7-21(20)25-8-2-1-3-9-25/h6-7,15,17-18H,1-5,8-14,16H2,(H,24,29)
InChIKeyVXRPPRGSGKQXSF-UHFFFAOYSA-N
XLogP1.65
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55374635
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51595823
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55605896
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43024471
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55374603) is 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXRPPRGSGKQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c28-22-14-17(16-27(22)18-4-5-18)23(29)24-20-15-19(33(30,31)26-10-12-32-13-11-26)6-7-21(20)25-8-2-1-3-9-25/h6-7,15,17-18H,1-5,8-14,16H2,(H,24,29).
What are the key properties of 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55374603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).