N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide

C24H20F2N2OS — CID 3654569

IUPACN-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc(F)cc1
InChIInChI=1S/C24H20F2N2OS/c25-19-10-8-17(9-11-19)13-27-24(29)16-30-23-15-28(22-7-2-1-6-21(22)23)14-18-4-3-5-20(26)12-18/h1-12,15H,13-14,16H2,(H,27,29)
InChIKeyZSDHNMVQPKZADS-UHFFFAOYSA-N
MW422.50 g/mol
LogP5.38
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 3654569) has the molecular formula C24H20F2N2OS and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID3654569
Molecular FormulaC24H20F2N2OS
Molecular Weight422.50 g/mol
Exact Mass422.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc(F)cc1
InChIInChI=1S/C24H20F2N2OS/c25-19-10-8-17(9-11-19)13-27-24(29)16-30-23-15-28(22-7-2-1-6-21(22)23)14-18-4-3-5-20(26)12-18/h1-12,15H,13-14,16H2,(H,27,29)
InChIKeyZSDHNMVQPKZADS-UHFFFAOYSA-N
XLogP5.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide 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 N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (CID 3654569) is N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is ZSDHNMVQPKZADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2OS/c25-19-10-8-17(9-11-19)13-27-24(29)16-30-23-15-28(22-7-2-1-6-21(22)23)14-18-4-3-5-20(26)12-18/h1-12,15H,13-14,16H2,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 422.50 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 3654569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).