1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea

C11H16N2O2S — CID 110706626

IUPAC1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NC1CCCO1
InChIInChI=1S/C11H16N2O2S/c14-11(13-10-4-1-7-15-10)12-6-5-9-3-2-8-16-9/h2-3,8,10H,1,4-7H2,(H2,12,13,14)
InChIKeyURYYNBQOTVSJRM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.73
Rot. Bonds4

About 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea

1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 110706626) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID110706626
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NC1CCCO1
InChIInChI=1S/C11H16N2O2S/c14-11(13-10-4-1-7-15-10)12-6-5-9-3-2-8-16-9/h2-3,8,10H,1,4-7H2,(H2,12,13,14)
InChIKeyURYYNBQOTVSJRM-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 110706680
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
CID 16614679
1-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137586
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770393
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 60572958
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate
CID 108887945
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea (CID 110706626) is 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is URYYNBQOTVSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-11(13-10-4-1-7-15-10)12-6-5-9-3-2-8-16-9/h2-3,8,10H,1,4-7H2,(H2,12,13,14).
What are the key properties of 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 240.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 110706626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).