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

C11H12N2OS — CID 3240250

IUPAC2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cccc1)NCc1cccs1
InChIInChI=1S/C11H12N2OS/c14-11(9-13-5-1-2-6-13)12-8-10-4-3-7-15-10/h1-7H,8-9H2,(H,12,14)
InChIKeyLIFWSWUNZZASNM-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.87
Rot. Bonds4

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

2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3240250) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3240250
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cccc1)NCc1cccs1
InChIInChI=1S/C11H12N2OS/c14-11(9-13-5-1-2-6-13)12-8-10-4-3-7-15-10/h1-7H,8-9H2,(H,12,14)
InChIKeyLIFWSWUNZZASNM-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide (CID 3240250) is 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cccc1)NCc1cccs1.
What is the InChIKey of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LIFWSWUNZZASNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-11(9-13-5-1-2-6-13)12-8-10-4-3-7-15-10/h1-7H,8-9H2,(H,12,14).
What are the key properties of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide?
2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 220.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3240250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).