1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea

C19H24N2O4S — CID 2811774

IUPAC1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-5-26(24,25)15-10-11-17(22)16(12-15)21-18(23)20-14-8-6-13(7-9-14)19(2,3)4/h6-12,22H,5H2,1-4H3,(H2,20,21,23)
InChIKeyBWLGTYILOXEURF-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea

1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea (PubChem CID 2811774) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea
PubChem CID2811774
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-5-26(24,25)15-10-11-17(22)16(12-15)21-18(23)20-14-8-6-13(7-9-14)19(2,3)4/h6-12,22H,5H2,1-4H3,(H2,20,21,23)
InChIKeyBWLGTYILOXEURF-UHFFFAOYSA-N
XLogP4.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817796
1-(2,5-Dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817797
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
CXCR2 antagonist 2
CID 156433436
CXCR2 antagonist 3
CID 156433441
1-(2-fluorophenyl)-3-(8-hydroxy-1,1-dioxo-2H-thiochromen-7-yl)urea
CID 156433442
1-(8-hydroxy-1,1-dioxo-2H-thiochromen-7-yl)-3-(4-methylphenyl)urea
CID 156433447
1-Benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 15645619
1-(2-Hydroxy-5-sulfamoylphenyl)-3-(2-phenylethyl)urea
CID 145987209
1-(4-Ethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145987828
1-(4-Butylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145988784
1-(2-Hydroxy-5-sulfamoylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 145990129

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea (CID 2811774) is 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea is CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
The InChIKey is BWLGTYILOXEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-26(24,25)15-10-11-17(22)16(12-15)21-18(23)20-14-8-6-13(7-9-14)19(2,3)4/h6-12,22H,5H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea has a molecular weight of 376.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea is sourced from PubChem (CID 2811774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).