1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea

C16H18N2O4S — CID 753422

IUPAC1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCCOc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-15-7-5-4-6-14(15)17-16(19)18-23(20,21)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H2,17,18,19)
InChIKeyUUIQVKLKKMXJLU-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea

1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 753422) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID753422
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCCOc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-15-7-5-4-6-14(15)17-16(19)18-23(20,21)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H2,17,18,19)
InChIKeyUUIQVKLKKMXJLU-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea (CID 753422) is 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea is CCOc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is UUIQVKLKKMXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-15-7-5-4-6-14(15)17-16(19)18-23(20,21)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 334.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 753422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).