N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

C26H20FN3OS — CID 121272710

IUPACN-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C26H20FN3OS/c27-22-8-3-2-7-21(22)19-11-12-20(28-15-19)16-29-26(31)17-30-23-9-4-1-6-18(23)14-24(30)25-10-5-13-32-25/h1-15H,16-17H2,(H,29,31)
InChIKeySSCIBBNXJPPQHE-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.89
Rot. Bonds6

About N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 121272710) has the molecular formula C26H20FN3OS and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID121272710
Molecular FormulaC26H20FN3OS
Molecular Weight441.53 g/mol
Exact Mass441.13
IUPAC NameN-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C26H20FN3OS/c27-22-8-3-2-7-21(22)19-11-12-20(28-15-19)16-29-26(31)17-30-23-9-4-1-6-18(23)14-24(30)25-10-5-13-32-25/h1-15H,16-17H2,(H,29,31)
InChIKeySSCIBBNXJPPQHE-UHFFFAOYSA-N
XLogP5.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 121272710) is N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccc(-c2ccccc2F)cn1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is SSCIBBNXJPPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3OS/c27-22-8-3-2-7-21(22)19-11-12-20(28-15-19)16-29-26(31)17-30-23-9-4-1-6-18(23)14-24(30)25-10-5-13-32-25/h1-15H,16-17H2,(H,29,31).
What are the key properties of N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 121272710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).