1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea

C17H20N2O5S — CID 2747286

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(OCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-13-3-9-16(10-4-13)25(21,22)19-17(20)18-11-12-24-15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyPUHIRNHJEOGYLS-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.07
Rot. Bonds7

About 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2747286) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID2747286
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(OCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-13-3-9-16(10-4-13)25(21,22)19-17(20)18-11-12-24-15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyPUHIRNHJEOGYLS-UHFFFAOYSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea (CID 2747286) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea is COc1ccc(OCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is PUHIRNHJEOGYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-13-3-9-16(10-4-13)25(21,22)19-17(20)18-11-12-24-15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 364.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2747286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).