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

C23H18F2N2OS — CID 3363867

IUPACN-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H18F2N2OS/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)29-15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyWZFIJEPALKEQCB-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.70
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 3363867) has the molecular formula C23H18F2N2OS and a molecular weight of 408.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID3363867
Molecular FormulaC23H18F2N2OS
Molecular Weight408.47 g/mol
Exact Mass408.11
IUPAC NameN-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H18F2N2OS/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)29-15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyWZFIJEPALKEQCB-UHFFFAOYSA-N
XLogP5.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (CID 3363867) is N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is O=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is WZFIJEPALKEQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2OS/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)29-15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 408.47 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 3363867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).