2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C20H20N2O2S — CID 3242546

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C
InChIInChI=1S/C20H20N2O2S/c1-14-18(15(2)23)11-19(16-7-4-3-5-8-16)22(14)13-20(24)21-12-17-9-6-10-25-17/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyQILRSGZKTDWJQU-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.04
Rot. Bonds6

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3242546) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3242546
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C
InChIInChI=1S/C20H20N2O2S/c1-14-18(15(2)23)11-19(16-7-4-3-5-8-16)22(14)13-20(24)21-12-17-9-6-10-25-17/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyQILRSGZKTDWJQU-UHFFFAOYSA-N
XLogP4.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 3242546) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QILRSGZKTDWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-18(15(2)23)11-19(16-7-4-3-5-8-16)22(14)13-20(24)21-12-17-9-6-10-25-17/h3-11H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3242546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).