1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea

C16H21N3O5S — CID 44569904

IUPAC1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea
SMILESCOCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
InChIInChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyXESWBZAIRXTAPJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.50
Rot. Bonds7

About 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea

1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea (PubChem CID 44569904) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea
PubChem CID44569904
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea
SMILESCOCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
InChIInChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyXESWBZAIRXTAPJ-UHFFFAOYSA-N
XLogP2.50
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea?
The IUPAC name of 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea (CID 44569904) is 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea?
The canonical SMILES for 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea is COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1.
What is the InChIKey of 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea?
The InChIKey is XESWBZAIRXTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea?
1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea has a molecular weight of 367.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea is sourced from PubChem (CID 44569904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).