ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate

C11H16N2O3S — CID 47030891

IUPACethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-11(15)13-8-10(14)12-6-5-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)(H,13,15)
InChIKeyKVEOMQAPFNZLAW-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.15
Rot. Bonds6

About ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate

ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate (PubChem CID 47030891) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate
PubChem CID47030891
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-11(15)13-8-10(14)12-6-5-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)(H,13,15)
InChIKeyKVEOMQAPFNZLAW-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(thiophen-2-yl)ethyl]carbamate
CID 11716536
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
2-amino-N-[2-[2-[5-(4-aminobutyl)thiophen-2-yl]ethylamino]-2-oxoethyl]acetamide
CID 16126183
N-[2-(dimethylamino)ethyl]-2-(thiophen-2-yl)acetamide
CID 803009
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 2113338
N1-cyclopentyl-N2-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)oxalamide
CID 18589132
N-(2-methoxyethyl)-N'-{[1-(thiophen-2-yl)cyclopentyl]methyl}ethanediamide
CID 25882738
N1-methyl-N2-(thiophen-2-ylmethyl)oxalamide
CID 40805400
N1-(1-methoxypropan-2-yl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 44998181
N1-(tert-butyl)-N2-(2-(thiophen-2-yl)ethyl)oxalamide
CID 45505117
Methyl 4-((2-oxo-2-((thiophen-2-ylmethyl)amino)acetamido)methyl)piperidine-1-carboxylate
CID 49682403

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate (CID 47030891) is ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate is CCOC(=O)NCC(=O)NCCc1cccs1.
What is the InChIKey of ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate?
The InChIKey is KVEOMQAPFNZLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-11(15)13-8-10(14)12-6-5-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate?
ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate is sourced from PubChem (CID 47030891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).