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

C15H24N2O2S — CID 73167833

IUPAC1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea
SMILESCC(C)NC(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-12(2)16-15(18)17(13-6-9-19-10-7-13)8-5-14-4-3-11-20-14/h3-4,11-13H,5-10H2,1-2H3,(H,16,18)
InChIKeyRDHJBUDQDLHUMB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.89
Rot. Bonds5

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

1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea (PubChem CID 73167833) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea
PubChem CID73167833
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea
SMILESCC(C)NC(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-12(2)16-15(18)17(13-6-9-19-10-7-13)8-5-14-4-3-11-20-14/h3-4,11-13H,5-10H2,1-2H3,(H,16,18)
InChIKeyRDHJBUDQDLHUMB-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
1-Cyclohexyl-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310411
1-[(5-Ethylthiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45828505
1-[(5-Methylthiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45831184
1-(1-Morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
(2S)-2-(hydroxymethyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-1-carboxamide
CID 53600523
1-Methyl-3-[(4-methylsulfanyloxan-4-yl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 71867846
1-Methyl-3-[(4-methylsulfanyloxan-4-yl)methyl]-1-[(5-methylthiophen-2-yl)methyl]urea
CID 71867856
2-(3-hydroxypropyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-1-carboxamide
CID 72128738
1-Propyl-3-(2-thiophen-2-ylethyl)urea
CID 74229353
2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 75444905
1-Propan-2-yl-3-(2-thiophen-2-ylethyl)urea
CID 40096605

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea (CID 73167833) is 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea is CC(C)NC(=O)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is RDHJBUDQDLHUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)16-15(18)17(13-6-9-19-10-7-13)8-5-14-4-3-11-20-14/h3-4,11-13H,5-10H2,1-2H3,(H,16,18).
What are the key properties of 1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea?
1-(oxan-4-yl)-3-propan-2-yl-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 296.44 g/mol, XLogP of 2.89, 5 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-propan-2-yl-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 73167833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).