5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide

C32H24Br2N4O2S2 — CID 57198621

IUPAC5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide
SMILESCN(C(=O)c1c(SSc2[nH]c3ccc(Br)cc3c2C(=O)N(C)c2ccccc2)[nH]c2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C32H24Br2N4O2S2/c1-37(21-9-5-3-6-10-21)31(39)27-23-17-19(33)13-15-25(23)35-29(27)41-42-30-28(24-18-20(34)14-16-26(24)36-30)32(40)38(2)22-11-7-4-8-12-22/h3-18,35-36H,1-2H3
InChIKeyCLBIROWIQFLQGN-UHFFFAOYSA-N
MW720.51 g/mol
LogP9.53
Rot. Bonds7

About 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide

5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide (PubChem CID 57198621) has the molecular formula C32H24Br2N4O2S2 and a molecular weight of 720.51 g/mol. Its IUPAC name is 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide
PubChem CID57198621
Molecular FormulaC32H24Br2N4O2S2
Molecular Weight720.51 g/mol
Exact Mass717.97
IUPAC Name5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide
SMILESCN(C(=O)c1c(SSc2[nH]c3ccc(Br)cc3c2C(=O)N(C)c2ccccc2)[nH]c2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C32H24Br2N4O2S2/c1-37(21-9-5-3-6-10-21)31(39)27-23-17-19(33)13-15-25(23)35-29(27)41-42-30-28(24-18-20(34)14-16-26(24)36-30)32(40)38(2)22-11-7-4-8-12-22/h3-18,35-36H,1-2H3
InChIKeyCLBIROWIQFLQGN-UHFFFAOYSA-N
XLogP9.53
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.51
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335394
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
6-hydroxy-N-methyl-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
CID 67821737
2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
CID 141352408
7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
CID 75511213
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
CID 113205033
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66688318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide (CID 57198621) is 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide is CN(C(=O)c1c(SSc2[nH]c3ccc(Br)cc3c2C(=O)N(C)c2ccccc2)[nH]c2ccc(Br)cc12)c1ccccc1.
What is the InChIKey of 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide?
The InChIKey is CLBIROWIQFLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2N4O2S2/c1-37(21-9-5-3-6-10-21)31(39)27-23-17-19(33)13-15-25(23)35-29(27)41-42-30-28(24-18-20(34)14-16-26(24)36-30)32(40)38(2)22-11-7-4-8-12-22/h3-18,35-36H,1-2H3.
What are the key properties of 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide?
5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide has a molecular weight of 720.51 g/mol, XLogP of 9.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 57198621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).