1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea

C15H24N2O4S — CID 71868361

IUPAC1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)N(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C15H24N2O4S/c1-22(19,20)10-8-16-15(18)17(11-13-7-9-21-12-13)14-5-3-2-4-6-14/h7,9,12,14H,2-6,8,10-11H2,1H3,(H,16,18)
InChIKeyXONOOQTXQVQOHP-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.17
Rot. Bonds6

About 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea

1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea (PubChem CID 71868361) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
PubChem CID71868361
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)N(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C15H24N2O4S/c1-22(19,20)10-8-16-15(18)17(11-13-7-9-21-12-13)14-5-3-2-4-6-14/h7,9,12,14H,2-6,8,10-11H2,1H3,(H,16,18)
InChIKeyXONOOQTXQVQOHP-UHFFFAOYSA-N
XLogP2.17
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea (CID 71868361) is 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea is CS(=O)(=O)CCNC(=O)N(Cc1ccoc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea?
The InChIKey is XONOOQTXQVQOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-22(19,20)10-8-16-15(18)17(11-13-7-9-21-12-13)14-5-3-2-4-6-14/h7,9,12,14H,2-6,8,10-11H2,1H3,(H,16,18).
What are the key properties of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea?
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea has a molecular weight of 328.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 71868361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).