2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide

C12H19N3O2S — CID 115286709

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CN(CC(N)=O)C(=O)C(N)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-8(2)6-15(7-10(13)16)12(17)11(14)9-4-3-5-18-9/h3-5,8,11H,6-7,14H2,1-2H3,(H2,13,16)
InChIKeyIXLLWHHLLUKZKH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide

2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide (PubChem CID 115286709) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
PubChem CID115286709
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CN(CC(N)=O)C(=O)C(N)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-8(2)6-15(7-10(13)16)12(17)11(14)9-4-3-5-18-9/h3-5,8,11H,6-7,14H2,1-2H3,(H2,13,16)
InChIKeyIXLLWHHLLUKZKH-UHFFFAOYSA-N
XLogP0.72
TPSA89.42 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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
CID 106312194
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
2-amino-N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 113279196
2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119190248
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate
CID 115286648
1-amino-6-methyl-1-thiophen-2-ylheptan-2-one
CID 116601583
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286
2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
CID 115286106

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide (CID 115286709) is 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide is CC(C)CN(CC(N)=O)C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
The InChIKey is IXLLWHHLLUKZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(2)6-15(7-10(13)16)12(17)11(14)9-4-3-5-18-9/h3-5,8,11H,6-7,14H2,1-2H3,(H2,13,16).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide has a molecular weight of 269.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).