ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate

C10H15NO3S — CID 71804729

IUPACethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
SMILESCCOC(=O)NCC(OC)c1ccsc1
InChIInChI=1S/C10H15NO3S/c1-3-14-10(12)11-6-9(13-2)8-4-5-15-7-8/h4-5,7,9H,3,6H2,1-2H3,(H,11,12)
InChIKeyBQTUIXISRGZEAL-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.18
Rot. Bonds5

About ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate

ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate (PubChem CID 71804729) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
PubChem CID71804729
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
SMILESCCOC(=O)NCC(OC)c1ccsc1
InChIInChI=1S/C10H15NO3S/c1-3-14-10(12)11-6-9(13-2)8-4-5-15-7-8/h4-5,7,9H,3,6H2,1-2H3,(H,11,12)
InChIKeyBQTUIXISRGZEAL-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-(2-methoxy-2-thiophen-3-ylethyl)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

N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide
CID 97427131
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate?
The IUPAC name of ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate (CID 71804729) is ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate.
What is the SMILES notation for ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate?
The canonical SMILES for ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate is CCOC(=O)NCC(OC)c1ccsc1.
What is the InChIKey of ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate?
The InChIKey is BQTUIXISRGZEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-14-10(12)11-6-9(13-2)8-4-5-15-7-8/h4-5,7,9H,3,6H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate?
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate has a molecular weight of 229.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate is sourced from PubChem (CID 71804729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).