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

C18H29N3O2S — CID 5310411

IUPAC1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H29N3O2S/c1-14(19-18(22)20-15-6-3-2-4-7-15)17(16-8-5-13-24-16)21-9-11-23-12-10-21/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H2,19,20,22)
InChIKeyJXQDXOUUPUBPEF-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.14
Rot. Bonds5

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

1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 5310411) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea
PubChem CID5310411
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H29N3O2S/c1-14(19-18(22)20-15-6-3-2-4-7-15)17(16-8-5-13-24-16)21-9-11-23-12-10-21/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H2,19,20,22)
InChIKeyJXQDXOUUPUBPEF-UHFFFAOYSA-N
XLogP3.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea (CID 5310411) is 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea is CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is JXQDXOUUPUBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-14(19-18(22)20-15-6-3-2-4-7-15)17(16-8-5-13-24-16)21-9-11-23-12-10-21/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 351.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 5310411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).