1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea

C16H19N3O5S — CID 25181478

IUPAC1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea
SMILESCc1oc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)
InChIKeyCGHGOYBTSNAPFZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea

1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea (PubChem CID 25181478) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea
PubChem CID25181478
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea
SMILESCc1oc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)
InChIKeyCGHGOYBTSNAPFZ-UHFFFAOYSA-N
XLogP2.25
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea (CID 25181478) is 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea is Cc1oc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea?
The InChIKey is CGHGOYBTSNAPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea?
1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea has a molecular weight of 365.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-morpholin-4-ylsulfonylfuran-3-yl)-3-phenylurea is sourced from PubChem (CID 25181478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).