N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide

C17H20N2O2S — CID 25651755

IUPACN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
SMILESCCN(CC(=O)NCC1=CC=CS1)C(=O)CC2=CC=CC=C2
InChIInChI=1S/C17H20N2O2S/c1-2-19(17(21)11-14-7-4-3-5-8-14)13-16(20)18-12-15-9-6-10-22-15/h3-10H,2,11-13H2,1H3,(H,18,20)
InChIKeyAENATOUCMZSRKH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.20
Rot. Bonds7

About N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide (PubChem CID 25651755) has the molecular formula C17H20N2O2S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
PubChem CID25651755
Molecular FormulaC17H20N2O2S
Molecular Weight316.40 g/mol
Exact Mass316.12
IUPAC NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
SMILESCCN(CC(=O)NCC1=CC=CS1)C(=O)CC2=CC=CC=C2
InChIInChI=1S/C17H20N2O2S/c1-2-19(17(21)11-14-7-4-3-5-8-14)13-16(20)18-12-15-9-6-10-22-15/h3-10H,2,11-13H2,1H3,(H,18,20)
InChIKeyAENATOUCMZSRKH-UHFFFAOYSA-N
XLogP2.20
TPSA77.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity370

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-Phenylethyl)-2-thiophenecarboxamide
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Proline scaffold, 28
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide (CID 25651755) is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide is CCN(CC(=O)NCC1=CC=CS1)C(=O)CC2=CC=CC=C2.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
The InChIKey is AENATOUCMZSRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-19(17(21)11-14-7-4-3-5-8-14)13-16(20)18-12-15-9-6-10-22-15/h3-10H,2,11-13H2,1H3,(H,18,20).
What are the key properties of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide has a molecular weight of 316.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 25651755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).