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

C21H22N2O2S — CID 3241329

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2cccs2)c1C
InChIInChI=1S/C21H22N2O2S/c1-15-19(16(2)24)13-20(17-7-4-3-5-8-17)23(15)11-10-21(25)22-14-18-9-6-12-26-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyALHDTCADHVLSLJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.43
Rot. Bonds7

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

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3241329) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3241329
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2cccs2)c1C
InChIInChI=1S/C21H22N2O2S/c1-15-19(16(2)24)13-20(17-7-4-3-5-8-17)23(15)11-10-21(25)22-14-18-9-6-12-26-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyALHDTCADHVLSLJ-UHFFFAOYSA-N
XLogP4.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 3241329) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2cccs2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ALHDTCADHVLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-19(16(2)24)13-20(17-7-4-3-5-8-17)23(15)11-10-21(25)22-14-18-9-6-12-26-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3241329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).