2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H19FN2O2S — CID 3243313

IUPAC2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2cccs2)c1C
InChIInChI=1S/C20H19FN2O2S/c1-13-18(14(2)24)10-19(15-5-7-16(21)8-6-15)23(13)12-20(25)22-11-17-4-3-9-26-17/h3-10H,11-12H2,1-2H3,(H,22,25)
InChIKeyVXIAPYVHGLNQMN-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.18
Rot. Bonds6

About 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3243313) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3243313
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2cccs2)c1C
InChIInChI=1S/C20H19FN2O2S/c1-13-18(14(2)24)10-19(15-5-7-16(21)8-6-15)23(13)12-20(25)22-11-17-4-3-9-26-17/h3-10H,11-12H2,1-2H3,(H,22,25)
InChIKeyVXIAPYVHGLNQMN-UHFFFAOYSA-N
XLogP4.18
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
CID 4994805
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-1-(azepan-1-yl)ethanone
CID 3328103
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
CID 5062404
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7264635
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2575147
2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51096564
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 39044875
2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135706405
ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium
CID 7988270
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3243313) is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2cccs2)c1C.
What is the InChIKey of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VXIAPYVHGLNQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13-18(14(2)24)10-19(15-5-7-16(21)8-6-15)23(13)12-20(25)22-11-17-4-3-9-26-17/h3-10H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3243313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).