1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

C17H27N3O2S — CID 18588966

IUPAC1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESO=C(NCC(c1cccs1)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C17H27N3O2S/c21-17(19-14-5-2-1-3-6-14)18-13-15(16-7-4-12-23-16)20-8-10-22-11-9-20/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,18,19,21)
InChIKeyABFPAGKTQGNCEO-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (PubChem CID 18588966) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
PubChem CID18588966
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESO=C(NCC(c1cccs1)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C17H27N3O2S/c21-17(19-14-5-2-1-3-6-14)18-13-15(16-7-4-12-23-16)20-8-10-22-11-9-20/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,18,19,21)
InChIKeyABFPAGKTQGNCEO-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (CID 18588966) is 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is O=C(NCC(c1cccs1)N1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The InChIKey is ABFPAGKTQGNCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c21-17(19-14-5-2-1-3-6-14)18-13-15(16-7-4-12-23-16)20-8-10-22-11-9-20/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea has a molecular weight of 337.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 18588966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).