2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide

C13H21N3O2S — CID 27119714

IUPAC2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)NCCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-10(2)16(8-12(14)17)9-13(18)15-6-5-11-4-3-7-19-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyCKOCMNSLMAMGMA-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.60
Rot. Bonds8

About 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide

2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide (PubChem CID 27119714) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide
PubChem CID27119714
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)NCCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-10(2)16(8-12(14)17)9-13(18)15-6-5-11-4-3-7-19-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyCKOCMNSLMAMGMA-UHFFFAOYSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide (CID 27119714) is 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide?
The InChIKey is CKOCMNSLMAMGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(2)16(8-12(14)17)9-13(18)15-6-5-11-4-3-7-19-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide?
2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide has a molecular weight of 283.40 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 27119714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).