(3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

C26H25N3O4S — CID 27914324

IUPAC(3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C26H25N3O4S/c1-33-21-10-8-20(9-11-21)29-24(30)17-22(26(29)32)28-14-12-27(13-15-28)19-6-4-18(5-7-19)25(31)23-3-2-16-34-23/h2-11,16,22H,12-15,17H2,1H3/t22-/m0/s1
InChIKeyBRWSJKHDWMDWKC-QFIPXVFZSA-N
MW475.57 g/mol
LogP3.44
Rot. Bonds6

About (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 27914324) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID27914324
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name(3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C26H25N3O4S/c1-33-21-10-8-20(9-11-21)29-24(30)17-22(26(29)32)28-14-12-27(13-15-28)19-6-4-18(5-7-19)25(31)23-3-2-16-34-23/h2-11,16,22H,12-15,17H2,1H3/t22-/m0/s1
InChIKeyBRWSJKHDWMDWKC-QFIPXVFZSA-N
XLogP3.44
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.44
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

(3R)-3-[4-(4-benzoylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 41242699
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1098219
(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1300263
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
butyl 4-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 40928459
[4-[(3S)-2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]phenyl] acetate
CID 1239119
(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 98263453
[4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]phenyl] acetate
CID 4913643
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
(3R)-1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2126438
(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 7923586

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 27914324) is (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is BRWSJKHDWMDWKC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-33-21-10-8-20(9-11-21)29-24(30)17-22(26(29)32)28-14-12-27(13-15-28)19-6-4-18(5-7-19)25(31)23-3-2-16-34-23/h2-11,16,22H,12-15,17H2,1H3/t22-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 475.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 27914324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).