1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione

C23H24N2O3S — CID 23881471

IUPAC1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-6-12-19(13-7-16)29-21-20(24-14-4-3-5-15-24)22(26)25(23(21)27)17-8-10-18(28-2)11-9-17/h6-13H,3-5,14-15H2,1-2H3
InChIKeyOHTUIEMHNSBVSS-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.37
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione

1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 23881471) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID23881471
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-6-12-19(13-7-16)29-21-20(24-14-4-3-5-15-24)22(26)25(23(21)27)17-8-10-18(28-2)11-9-17/h6-13H,3-5,14-15H2,1-2H3
InChIKeyOHTUIEMHNSBVSS-UHFFFAOYSA-N
XLogP4.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 23966227
1-(4-fluorophenyl)-3-(4-methoxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione
CID 1193456
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110557863
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557855
3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110557862
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
3-chloro-4-(4-methoxyphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110583148
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110555730
1-(3-chloro-4-fluorophenyl)-3-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione
CID 3386825
2-(4-methoxyphenyl)-8,14-bis(4-methylphenyl)-5,11,17-tripyrrolidin-1-yl-2,8,14,19,20,21-hexazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3,5,7(21),9,11,13(20),15(19),16-nonaene
CID 102311849

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 23881471) is 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCCCC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is OHTUIEMHNSBVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-6-12-19(13-7-16)29-21-20(24-14-4-3-5-15-24)22(26)25(23(21)27)17-8-10-18(28-2)11-9-17/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione?
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 408.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 23881471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).