1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea

C15H22N2O2S — CID 90611125

IUPAC1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
SMILESC=CCNC(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C15H22N2O2S/c1-2-8-16-15(18)17(13-6-10-19-11-7-13)9-5-14-4-3-12-20-14/h2-4,12-13H,1,5-11H2,(H,16,18)
InChIKeyVKEBLTLZBMFXBP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.67
Rot. Bonds6

About 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea

1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea (PubChem CID 90611125) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
PubChem CID90611125
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
SMILESC=CCNC(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C15H22N2O2S/c1-2-8-16-15(18)17(13-6-10-19-11-7-13)9-5-14-4-3-12-20-14/h2-4,12-13H,1,5-11H2,(H,16,18)
InChIKeyVKEBLTLZBMFXBP-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 90611093
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 99873308
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90611073
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 90610942
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea (CID 90611125) is 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea is C=CCNC(=O)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is VKEBLTLZBMFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-8-16-15(18)17(13-6-10-19-11-7-13)9-5-14-4-3-12-20-14/h2-4,12-13H,1,5-11H2,(H,16,18).
What are the key properties of 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea?
1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 294.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90611125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).