(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C22H25N3O5S — CID 2450049

IUPAC(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CN1Cc1ccco1
InChIInChI=1S/C22H25N3O5S/c26-21-15-19(16-24(21)17-20-7-4-13-30-20)22(27)23-9-11-25(12-10-23)31(28,29)14-8-18-5-2-1-3-6-18/h1-8,13-14,19H,9-12,15-17H2/b14-8+/t19-/m1/s1
InChIKeyBQDPBZLHKOEKSS-XOVNIXPASA-N
MW443.53 g/mol
LogP1.77
Rot. Bonds6

About (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 2450049) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID2450049
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CN1Cc1ccco1
InChIInChI=1S/C22H25N3O5S/c26-21-15-19(16-24(21)17-20-7-4-13-30-20)22(27)23-9-11-25(12-10-23)31(28,29)14-8-18-5-2-1-3-6-18/h1-8,13-14,19H,9-12,15-17H2/b14-8+/t19-/m1/s1
InChIKeyBQDPBZLHKOEKSS-XOVNIXPASA-N
XLogP1.77
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55619923
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43002728
1-(furan-2-ylmethyl)-5-oxo-N'-[(E)-3-phenylprop-2-enoyl]pyrrolidine-3-carbohydrazide
CID 17232588
1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350
4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55339067
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 2450049) is (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CN1Cc1ccco1.
What is the InChIKey of (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BQDPBZLHKOEKSS-XOVNIXPASA-N. The full InChI is InChI=1S/C22H25N3O5S/c26-21-15-19(16-24(21)17-20-7-4-13-30-20)22(27)23-9-11-25(12-10-23)31(28,29)14-8-18-5-2-1-3-6-18/h1-8,13-14,19H,9-12,15-17H2/b14-8+/t19-/m1/s1.
What are the key properties of (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 443.53 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 2450049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).