2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide

C12H15N3OS — CID 114186154

IUPAC2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1cccc1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-15-6-2-4-9(15)8-14-12(16)11(13)10-5-3-7-17-10/h2-7,11H,8,13H2,1H3,(H,14,16)
InChIKeyLXBHVEMCXFOTQJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide

2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 114186154) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID114186154
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1cccc1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-15-6-2-4-9(15)8-14-12(16)11(13)10-5-3-7-17-10/h2-7,11H,8,13H2,1H3,(H,14,16)
InChIKeyLXBHVEMCXFOTQJ-UHFFFAOYSA-N
XLogP1.40
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115285808
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 112669206
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115287271
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide (CID 114186154) is 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide is Cn1cccc1CNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is LXBHVEMCXFOTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15-6-2-4-9(15)8-14-12(16)11(13)10-5-3-7-17-10/h2-7,11H,8,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 249.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 114186154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).