1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea

C12H18N2O2S — CID 113322013

IUPAC1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NC1CCOC1
InChIInChI=1S/C12H18N2O2S/c1-2-14(8-11-4-3-7-17-11)12(15)13-10-5-6-16-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,13,15)
InChIKeyJCIDVVHQGWGYFG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.07
Rot. Bonds4

About 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea

1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 113322013) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
PubChem CID113322013
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NC1CCOC1
InChIInChI=1S/C12H18N2O2S/c1-2-14(8-11-4-3-7-17-11)12(15)13-10-5-6-16-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,13,15)
InChIKeyJCIDVVHQGWGYFG-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 71974354
4-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292955
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 91812766
1-ethyl-1-(thiophen-2-ylmethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 52652497
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 95203771
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
N-ethyl-4-(ethylamino)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66257715
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
N-ethyl-2-(4-methylcyclohexyl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 90228031
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea (CID 113322013) is 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)NC1CCOC1.
What is the InChIKey of 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is JCIDVVHQGWGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-14(8-11-4-3-7-17-11)12(15)13-10-5-6-16-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,13,15).
What are the key properties of 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea?
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 254.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 113322013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).