5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide

C24H24F2N4O2S2 — CID 170459475

IUPAC5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCSSCCCNC(=O)c1cc2cc(F)ccc2[nH]1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C24H24F2N4O2S2/c25-17-3-5-19-15(11-17)13-21(29-19)23(31)27-7-1-9-33-34-10-2-8-28-24(32)22-14-16-12-18(26)4-6-20(16)30-22/h3-6,11-14,29-30H,1-2,7-10H2,(H,27,31)(H,28,32)
InChIKeyFQIHKOYVEKICCW-UHFFFAOYSA-N
MW502.61 g/mol
LogP5.25
Rot. Bonds11

About 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide

5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide (PubChem CID 170459475) has the molecular formula C24H24F2N4O2S2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide
PubChem CID170459475
Molecular FormulaC24H24F2N4O2S2
Molecular Weight502.61 g/mol
Exact Mass502.13
IUPAC Name5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCSSCCCNC(=O)c1cc2cc(F)ccc2[nH]1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C24H24F2N4O2S2/c25-17-3-5-19-15(11-17)13-21(29-19)23(31)27-7-1-9-33-34-10-2-8-28-24(32)22-14-16-12-18(26)4-6-20(16)30-22/h3-6,11-14,29-30H,1-2,7-10H2,(H,27,31)(H,28,32)
InChIKeyFQIHKOYVEKICCW-UHFFFAOYSA-N
XLogP5.25
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-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 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide (CID 170459475) is 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide is O=C(NCCCSSCCCNC(=O)c1cc2cc(F)ccc2[nH]1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide?
The InChIKey is FQIHKOYVEKICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2S2/c25-17-3-5-19-15(11-17)13-21(29-19)23(31)27-7-1-9-33-34-10-2-8-28-24(32)22-14-16-12-18(26)4-6-20(16)30-22/h3-6,11-14,29-30H,1-2,7-10H2,(H,27,31)(H,28,32).
What are the key properties of 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide?
5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide has a molecular weight of 502.61 g/mol, XLogP of 5.25, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]propyldisulfanyl]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170459475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).