3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide

C24H23FN2OS — CID 20899941

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCCc1cccs1
InChIInChI=1S/C24H23FN2OS/c25-20-10-7-18(8-11-20)16-27-17-19(22-5-1-2-6-23(22)27)9-12-24(28)26-14-13-21-4-3-15-29-21/h1-8,10-11,15,17H,9,12-14,16H2,(H,26,28)
InChIKeyHMMHKXOWYKXJIU-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.18
Rot. Bonds8

About 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 20899941) has the molecular formula C24H23FN2OS and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID20899941
Molecular FormulaC24H23FN2OS
Molecular Weight406.53 g/mol
Exact Mass406.15
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCCc1cccs1
InChIInChI=1S/C24H23FN2OS/c25-20-10-7-18(8-11-20)16-27-17-19(22-5-1-2-6-23(22)27)9-12-24(28)26-14-13-21-4-3-15-29-21/h1-8,10-11,15,17H,9,12-14,16H2,(H,26,28)
InChIKeyHMMHKXOWYKXJIU-UHFFFAOYSA-N
XLogP5.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 20899941) is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCCc1cccs1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is HMMHKXOWYKXJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2OS/c25-20-10-7-18(8-11-20)16-27-17-19(22-5-1-2-6-23(22)27)9-12-24(28)26-14-13-21-4-3-15-29-21/h1-8,10-11,15,17H,9,12-14,16H2,(H,26,28).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide?
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 406.53 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 20899941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).