1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea

C15H17N3O4S — CID 27870041

IUPAC1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-2-22-13-7-3-11(4-8-13)17-15(19)18-12-5-9-14(10-6-12)23(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyJSZKALNLYPFRPP-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea

1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 27870041) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID27870041
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-2-22-13-7-3-11(4-8-13)17-15(19)18-12-5-9-14(10-6-12)23(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyJSZKALNLYPFRPP-UHFFFAOYSA-N
XLogP2.38
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 971008
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
1-[1-(4-ethoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 2954250
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
tert-butyl N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]carbamate
CID 122420497
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea (CID 27870041) is 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea is CCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is JSZKALNLYPFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-2-22-13-7-3-11(4-8-13)17-15(19)18-12-5-9-14(10-6-12)23(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 335.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27870041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).