3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide

C28H23FN2OS — CID 4142450

IUPAC3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C28H23FN2OS/c29-24-12-5-6-13-25(24)30-28(32)17-22(27-15-8-16-33-27)23-19-31(18-20-9-2-1-3-10-20)26-14-7-4-11-21(23)26/h1-16,19,22H,17-18H2,(H,30,32)
InChIKeyAIGWENZDODXTFE-UHFFFAOYSA-N
MW454.57 g/mol
LogP7.05
Rot. Bonds7

About 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide

3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 4142450) has the molecular formula C28H23FN2OS and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
PubChem CID4142450
Molecular FormulaC28H23FN2OS
Molecular Weight454.57 g/mol
Exact Mass454.15
IUPAC Name3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C28H23FN2OS/c29-24-12-5-6-13-25(24)30-28(32)17-22(27-15-8-16-33-27)23-19-31(18-20-9-2-1-3-10-20)26-14-7-4-11-21(23)26/h1-16,19,22H,17-18H2,(H,30,32)
InChIKeyAIGWENZDODXTFE-UHFFFAOYSA-N
XLogP7.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774772
N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 42774253
(3S)-3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 98412228
3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide
CID 42774940
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylpropanamide
CID 4259550
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
CID 3620283
3-(1-benzylindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 42774929
(3S)-3-(2-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 98773661
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
CID 42774268

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide (CID 4142450) is 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1F.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is AIGWENZDODXTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2OS/c29-24-12-5-6-13-25(24)30-28(32)17-22(27-15-8-16-33-27)23-19-31(18-20-9-2-1-3-10-20)26-14-7-4-11-21(23)26/h1-16,19,22H,17-18H2,(H,30,32).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide?
3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 454.57 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 4142450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).