(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione

C31H34N4O5S — CID 98124634

IUPAC(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C31H34N4O5S/c36-29-23-28(31(37)35(29)26-11-13-27(14-12-26)41(38,39)34-19-21-40-22-20-34)32-15-17-33(18-16-32)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,28,30H,15-23H2/t28-/m1/s1
InChIKeyLJSOYWRKLBQFFM-MUUNZHRXSA-N
MW574.70 g/mol
LogP2.75
Rot. Bonds7

About (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione

(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione (PubChem CID 98124634) has the molecular formula C31H34N4O5S and a molecular weight of 574.70 g/mol. Its IUPAC name is (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione
PubChem CID98124634
Molecular FormulaC31H34N4O5S
Molecular Weight574.70 g/mol
Exact Mass574.22
IUPAC Name(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C31H34N4O5S/c36-29-23-28(31(37)35(29)26-11-13-27(14-12-26)41(38,39)34-19-21-40-22-20-34)32-15-17-33(18-16-32)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,28,30H,15-23H2/t28-/m1/s1
InChIKeyLJSOYWRKLBQFFM-MUUNZHRXSA-N
XLogP2.75
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.70
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6610561
(3S)-3-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1388366
(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1388367
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 1238179
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
CID 1038557
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 1292395
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 1256195
1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 5236758
[2-(2-chlorophenyl)-2-oxoethyl] 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171988
4-[(3S)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 710147
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)pyrrolidine-2,5-dione
CID 98058728

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione (CID 98124634) is (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione?
The InChIKey is LJSOYWRKLBQFFM-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H34N4O5S/c36-29-23-28(31(37)35(29)26-11-13-27(14-12-26)41(38,39)34-19-21-40-22-20-34)32-15-17-33(18-16-32)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,28,30H,15-23H2/t28-/m1/s1.
What are the key properties of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione has a molecular weight of 574.70 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98124634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).