4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide

C17H20N2O3S — CID 27770384

IUPAC4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-14-7-5-13(6-8-14)17(21)19-12-16(20)18-10-9-15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyWTRYQNOOWRRRSL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.24
Rot. Bonds8

About 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide

4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide (PubChem CID 27770384) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
PubChem CID27770384
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-14-7-5-13(6-8-14)17(21)19-12-16(20)18-10-9-15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyWTRYQNOOWRRRSL-UHFFFAOYSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
N-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 60547662
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120535479
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide (CID 27770384) is 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide?
The InChIKey is WTRYQNOOWRRRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-22-14-7-5-13(6-8-14)17(21)19-12-16(20)18-10-9-15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide is sourced from PubChem (CID 27770384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).