1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea

C15H16N2O4S — CID 25110789

IUPAC1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyFAHTUCLYYDEVNW-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea

1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea (PubChem CID 25110789) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea
PubChem CID25110789
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyFAHTUCLYYDEVNW-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea (CID 25110789) is 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea?
The InChIKey is FAHTUCLYYDEVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea?
1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea has a molecular weight of 320.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 25110789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).