6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide

C32H26N4O4S2 — CID 5328611

IUPAC6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
SMILESCn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(O)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C32H26N4O4S2/c1-35-25-17-21(37)13-15-23(25)27(29(39)33-19-9-5-3-6-10-19)31(35)41-42-32-28(30(40)34-20-11-7-4-8-12-20)24-16-14-22(38)18-26(24)36(32)2/h3-18,37-38H,1-2H3,(H,33,39)(H,34,40)
InChIKeyKGVFYDBDTHRCJU-UHFFFAOYSA-N
MW594.72 g/mol
LogP7.39
Rot. Bonds7

About 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide

6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide (PubChem CID 5328611) has the molecular formula C32H26N4O4S2 and a molecular weight of 594.72 g/mol. Its IUPAC name is 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
PubChem CID5328611
Molecular FormulaC32H26N4O4S2
Molecular Weight594.72 g/mol
Exact Mass594.14
IUPAC Name6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
SMILESCn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(O)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C32H26N4O4S2/c1-35-25-17-21(37)13-15-23(25)27(29(39)33-19-9-5-3-6-10-19)31(35)41-42-32-28(30(40)34-20-11-7-4-8-12-20)24-16-14-22(38)18-26(24)36(32)2/h3-18,37-38H,1-2H3,(H,33,39)(H,34,40)
InChIKeyKGVFYDBDTHRCJU-UHFFFAOYSA-N
XLogP7.39
TPSA108.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.72
LogP ≤ 57.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide 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 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
The IUPAC name of 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide (CID 5328611) is 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide is Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(O)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
The InChIKey is KGVFYDBDTHRCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4S2/c1-35-25-17-21(37)13-15-23(25)27(29(39)33-19-9-5-3-6-10-19)31(35)41-42-32-28(30(40)34-20-11-7-4-8-12-20)24-16-14-22(38)18-26(24)36(32)2/h3-18,37-38H,1-2H3,(H,33,39)(H,34,40).
What are the key properties of 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide has a molecular weight of 594.72 g/mol, XLogP of 7.39, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[[6-hydroxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide is sourced from PubChem (CID 5328611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).