2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide

C12H19N3O2S — CID 107755506

IUPAC2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1sccc1NC(C)=O
InChIInChI=1S/C12H19N3O2S/c1-4-15(3)12(17)8-13-7-11-10(5-6-18-11)14-9(2)16/h5-6,13H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyOIUZSZFVALCHSV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.27
Rot. Bonds6

About 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide

2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 107755506) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID107755506
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1sccc1NC(C)=O
InChIInChI=1S/C12H19N3O2S/c1-4-15(3)12(17)8-13-7-11-10(5-6-18-11)14-9(2)16/h5-6,13H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyOIUZSZFVALCHSV-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide (CID 107755506) is 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1sccc1NC(C)=O.
What is the InChIKey of 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is OIUZSZFVALCHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-15(3)12(17)8-13-7-11-10(5-6-18-11)14-9(2)16/h5-6,13H,4,7-8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).