1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea

C18H23N3O2S — CID 5310292

IUPAC1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H23N3O2S/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/h2-8,13-14,17H,9-12H2,1H3,(H2,19,20,22)
InChIKeyMBGSMOUVBQVGNH-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.33
Rot. Bonds5

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

1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea (PubChem CID 5310292) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea
PubChem CID5310292
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H23N3O2S/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/h2-8,13-14,17H,9-12H2,1H3,(H2,19,20,22)
InChIKeyMBGSMOUVBQVGNH-UHFFFAOYSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea?
The IUPAC name of 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea (CID 5310292) is 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea?
The canonical SMILES for 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea is CC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea?
The InChIKey is MBGSMOUVBQVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/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/h2-8,13-14,17H,9-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea?
1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea has a molecular weight of 345.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-phenylurea is sourced from PubChem (CID 5310292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).