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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Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
N-cyclopentyl-4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (4)
CID 124155059
N-cyclohexyl-4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (5)
CID 124155108
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
6-methyl-N-[1-[[(2S)-5-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46236510
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 71462683
4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 2565676
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-N-(2-phenylethyl)acetamide
CID 6620311
N-benzyl-2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]acetamide
CID 16011775
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750

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).