2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

C24H20N4O2S — CID 86263848

IUPAC2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCn1cc(CC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c2ccccc21
InChIInChI=1S/C24H20N4O2S/c1-28-15-17(18-8-3-5-10-20(18)28)13-22(29)25-19-9-4-2-7-16(19)14-23-26-24(27-30-23)21-11-6-12-31-21/h2-12,15H,13-14H2,1H3,(H,25,29)
InChIKeyLEWUEGAIUSEFDR-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.06
Rot. Bonds6

About 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 86263848) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
PubChem CID86263848
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCn1cc(CC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c2ccccc21
InChIInChI=1S/C24H20N4O2S/c1-28-15-17(18-8-3-5-10-20(18)28)13-22(29)25-19-9-4-2-7-16(19)14-23-26-24(27-30-23)21-11-6-12-31-21/h2-12,15H,13-14H2,1H3,(H,25,29)
InChIKeyLEWUEGAIUSEFDR-UHFFFAOYSA-N
XLogP5.06
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 86263848) is 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is Cn1cc(CC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The InChIKey is LEWUEGAIUSEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-28-15-17(18-8-3-5-10-20(18)28)13-22(29)25-19-9-4-2-7-16(19)14-23-26-24(27-30-23)21-11-6-12-31-21/h2-12,15H,13-14H2,1H3,(H,25,29).
What are the key properties of 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 428.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 86263848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).