2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C18H16N2O2S — CID 3239359

IUPAC2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cccc1C(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C18H16N2O2S/c21-17(19-12-15-8-5-11-23-15)13-20-10-4-9-16(20)18(22)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,21)
InChIKeyYTESNWZQEHDPAD-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.10
Rot. Bonds6

About 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3239359) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3239359
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cccc1C(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C18H16N2O2S/c21-17(19-12-15-8-5-11-23-15)13-20-10-4-9-16(20)18(22)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,21)
InChIKeyYTESNWZQEHDPAD-UHFFFAOYSA-N
XLogP3.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 3239359) is 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cccc1C(=O)c1ccccc1)NCc1cccs1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YTESNWZQEHDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17(19-12-15-8-5-11-23-15)13-20-10-4-9-16(20)18(22)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,21).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3239359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).