1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea

C17H20N2O5S — CID 663371

IUPAC1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea
SMILESCCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-3-24-15-6-4-13(5-7-15)12-18-17(20)19-25(21,22)16-10-8-14(23-2)9-11-16/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyGBXQWOPOQSMMSM-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.28
Rot. Bonds7

About 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea

1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea (PubChem CID 663371) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea
PubChem CID663371
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea
SMILESCCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-3-24-15-6-4-13(5-7-15)12-18-17(20)19-25(21,22)16-10-8-14(23-2)9-11-16/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyGBXQWOPOQSMMSM-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea (CID 663371) is 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea is CCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea?
The InChIKey is GBXQWOPOQSMMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-3-24-15-6-4-13(5-7-15)12-18-17(20)19-25(21,22)16-10-8-14(23-2)9-11-16/h4-11H,3,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea?
1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea has a molecular weight of 364.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylurea is sourced from PubChem (CID 663371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).