1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea

C16H19N3O4S — CID 38147908

IUPAC1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
SMILESCN(CCOc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-19(10-11-23-14-7-3-2-4-8-14)16(20)18-13-6-5-9-15(12-13)24(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyJGUXHDXYHCBEMK-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.88
Rot. Bonds6

About 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea

1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea (PubChem CID 38147908) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
PubChem CID38147908
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
SMILESCN(CCOc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-19(10-11-23-14-7-3-2-4-8-14)16(20)18-13-6-5-9-15(12-13)24(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyJGUXHDXYHCBEMK-UHFFFAOYSA-N
XLogP1.88
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea (CID 38147908) is 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea is CN(CCOc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea?
The InChIKey is JGUXHDXYHCBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-19(10-11-23-14-7-3-2-4-8-14)16(20)18-13-6-5-9-15(12-13)24(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea?
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea has a molecular weight of 349.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 38147908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).