1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione

C32H22N4O8S2 — CID 54501100

IUPAC1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cc(SSc3cc(N4C(=O)C=C(C)C4=O)cc(N4C(=O)C=C(C)C4=O)c3)cc(N3C(=O)C=C(C)C3=O)c2)C1=O
InChIInChI=1S/C32H22N4O8S2/c1-15-5-25(37)33(29(15)41)19-9-20(34-26(38)6-16(2)30(34)42)12-23(11-19)45-46-24-13-21(35-27(39)7-17(3)31(35)43)10-22(14-24)36-28(40)8-18(4)32(36)44/h5-14H,1-4H3
InChIKeyYCMCVWDWAVDZLQ-UHFFFAOYSA-N
MW654.68 g/mol
LogP3.76
Rot. Bonds7

About 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione

1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione (PubChem CID 54501100) has the molecular formula C32H22N4O8S2 and a molecular weight of 654.68 g/mol. Its IUPAC name is 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
PubChem CID54501100
Molecular FormulaC32H22N4O8S2
Molecular Weight654.68 g/mol
Exact Mass654.09
IUPAC Name1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cc(SSc3cc(N4C(=O)C=C(C)C4=O)cc(N4C(=O)C=C(C)C4=O)c3)cc(N3C(=O)C=C(C)C3=O)c2)C1=O
InChIInChI=1S/C32H22N4O8S2/c1-15-5-25(37)33(29(15)41)19-9-20(34-26(38)6-16(2)30(34)42)12-23(11-19)45-46-24-13-21(35-27(39)7-17(3)31(35)43)10-22(14-24)36-28(40)8-18(4)32(36)44/h5-14H,1-4H3
InChIKeyYCMCVWDWAVDZLQ-UHFFFAOYSA-N
XLogP3.76
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.68
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione (CID 54501100) is 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2cc(SSc3cc(N4C(=O)C=C(C)C4=O)cc(N4C(=O)C=C(C)C4=O)c3)cc(N3C(=O)C=C(C)C3=O)c2)C1=O.
What is the InChIKey of 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is YCMCVWDWAVDZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O8S2/c1-15-5-25(37)33(29(15)41)19-9-20(34-26(38)6-16(2)30(34)42)12-23(11-19)45-46-24-13-21(35-27(39)7-17(3)31(35)43)10-22(14-24)36-28(40)8-18(4)32(36)44/h5-14H,1-4H3.
What are the key properties of 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 654.68 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 54501100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).