2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide

C24H21FN2OS — CID 563082

IUPAC2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide
SMILESCSc1c(CC(=O)Nc2ccc(F)cc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H21FN2OS/c1-29-24-20-9-5-6-10-21(20)27(16-17-7-3-2-4-8-17)22(24)15-23(28)26-19-13-11-18(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyUSKOPWBFDBUXHH-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.73
Rot. Bonds6

About 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide

2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 563082) has the molecular formula C24H21FN2OS and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide
PubChem CID563082
Molecular FormulaC24H21FN2OS
Molecular Weight404.51 g/mol
Exact Mass404.14
IUPAC Name2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide
SMILESCSc1c(CC(=O)Nc2ccc(F)cc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H21FN2OS/c1-29-24-20-9-5-6-10-21(20)27(16-17-7-3-2-4-8-17)22(24)15-23(28)26-19-13-11-18(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyUSKOPWBFDBUXHH-UHFFFAOYSA-N
XLogP5.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide (CID 563082) is 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide is CSc1c(CC(=O)Nc2ccc(F)cc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is USKOPWBFDBUXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS/c1-29-24-20-9-5-6-10-21(20)27(16-17-7-3-2-4-8-17)22(24)15-23(28)26-19-13-11-18(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide?
2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 563082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).