3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide

C27H23FN2O2S — CID 4516584

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C27H23FN2O2S/c28-20-11-9-19(10-12-20)17-30-18-24(22-6-1-2-7-25(22)30)23(26-8-4-14-33-26)15-27(31)29-16-21-5-3-13-32-21/h1-14,18,23H,15-17H2,(H,29,31)
InChIKeyANGBZVANBOIGAY-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.32
Rot. Bonds8

About 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 4516584) has the molecular formula C27H23FN2O2S and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID4516584
Molecular FormulaC27H23FN2O2S
Molecular Weight458.56 g/mol
Exact Mass458.15
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C27H23FN2O2S/c28-20-11-9-19(10-12-20)17-30-18-24(22-6-1-2-7-25(22)30)23(26-8-4-14-33-26)15-27(31)29-16-21-5-3-13-32-21/h1-14,18,23H,15-17H2,(H,29,31)
InChIKeyANGBZVANBOIGAY-UHFFFAOYSA-N
XLogP6.32
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide (CID 4516584) is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is ANGBZVANBOIGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2S/c28-20-11-9-19(10-12-20)17-30-18-24(22-6-1-2-7-25(22)30)23(26-8-4-14-33-26)15-27(31)29-16-21-5-3-13-32-21/h1-14,18,23H,15-17H2,(H,29,31).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 458.56 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 4516584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).