1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H23N3O3S — CID 126802548

IUPAC1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESC=C(C)CN(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H23N3O3S/c1-4-18(11-12(2)3)15(19)17-10-9-13-5-7-14(8-6-13)22(16,20)21/h5-8H,2,4,9-11H2,1,3H3,(H,17,19)(H2,16,20,21)
InChIKeyGUENWIYKHTUNCH-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.48
Rot. Bonds7

About 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 126802548) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID126802548
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESC=C(C)CN(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H23N3O3S/c1-4-18(11-12(2)3)15(19)17-10-9-13-5-7-14(8-6-13)22(16,20)21/h5-8H,2,4,9-11H2,1,3H3,(H,17,19)(H2,16,20,21)
InChIKeyGUENWIYKHTUNCH-UHFFFAOYSA-N
XLogP1.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 126802548) is 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is C=C(C)CN(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is GUENWIYKHTUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-18(11-12(2)3)15(19)17-10-9-13-5-7-14(8-6-13)22(16,20)21/h5-8H,2,4,9-11H2,1,3H3,(H,17,19)(H2,16,20,21).
What are the key properties of 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 325.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylprop-2-enyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 126802548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).