2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide

C18H17FN2OS — CID 3332439

IUPAC2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2OS/c1-2-21-11-17(15-5-3-4-6-16(15)21)23-12-18(22)20-14-9-7-13(19)8-10-14/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyDALPVGMFKFDHJP-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.53
Rot. Bonds5

About 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide

2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 3332439) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID3332439
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2OS/c1-2-21-11-17(15-5-3-4-6-16(15)21)23-12-18(22)20-14-9-7-13(19)8-10-14/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyDALPVGMFKFDHJP-UHFFFAOYSA-N
XLogP4.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide (CID 3332439) is 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide is CCn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is DALPVGMFKFDHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-2-21-11-17(15-5-3-4-6-16(15)21)23-12-18(22)20-14-9-7-13(19)8-10-14/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3332439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).