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

C24H21FN2OS — CID 4189507

IUPACN-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccccc1Cn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H21FN2OS/c1-17-6-2-3-7-18(17)14-27-15-23(21-8-4-5-9-22(21)27)29-16-24(28)26-20-12-10-19(25)11-13-20/h2-13,15H,14,16H2,1H3,(H,26,28)
InChIKeyMFSUCGNLIXTSLL-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.87
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 4189507) has the molecular formula C24H21FN2OS and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID4189507
Molecular FormulaC24H21FN2OS
Molecular Weight404.51 g/mol
Exact Mass404.14
IUPAC NameN-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccccc1Cn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H21FN2OS/c1-17-6-2-3-7-18(17)14-27-15-23(21-8-4-5-9-22(21)27)29-16-24(28)26-20-12-10-19(25)11-13-20/h2-13,15H,14,16H2,1H3,(H,26,28)
InChIKeyMFSUCGNLIXTSLL-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
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-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (CID 4189507) is N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is Cc1ccccc1Cn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is MFSUCGNLIXTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS/c1-17-6-2-3-7-18(17)14-27-15-23(21-8-4-5-9-22(21)27)29-16-24(28)26-20-12-10-19(25)11-13-20/h2-13,15H,14,16H2,1H3,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 404.51 g/mol, XLogP of 5.87, 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-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 4189507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).