5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide

C32H24Br2N4O2S2 — CID 5328599

IUPAC5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
SMILESCn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C32H24Br2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40)
InChIKeyGCAJVGAKBPOEBH-UHFFFAOYSA-N
MW720.51 g/mol
LogP9.50
Rot. Bonds7

About 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide

5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide (PubChem CID 5328599) has the molecular formula C32H24Br2N4O2S2 and a molecular weight of 720.51 g/mol. Its IUPAC name is 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
PubChem CID5328599
Molecular FormulaC32H24Br2N4O2S2
Molecular Weight720.51 g/mol
Exact Mass717.97
IUPAC Name5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
SMILESCn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C32H24Br2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40)
InChIKeyGCAJVGAKBPOEBH-UHFFFAOYSA-N
XLogP9.50
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.51
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[1,6-dimethyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1,6-dimethyl-N-phenylindole-3-carboxamide
CID 5328608
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
CID 56959690
2,4-dibromo-6-hydroxy-N-phenylbenzamide
CID 101304515
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396
2-benzylsulfanyl-N-(4-chlorophenyl)-1-methylindole-3-carboxamide
CID 5152634
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
4-hydroxy-5-methyl-2-oxo-N-phenylpyrano[3,2-b]indole-3-carboxamide
CID 54696259
2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
CID 1310883

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
The IUPAC name of 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide (CID 5328599) is 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide.
What is the SMILES notation for 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
The canonical SMILES for 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide is Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
The InChIKey is GCAJVGAKBPOEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40).
What are the key properties of 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide?
5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide has a molecular weight of 720.51 g/mol, XLogP of 9.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide is sourced from PubChem (CID 5328599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).