1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea

C14H22N2O4S — CID 56824411

IUPAC1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea
SMILESCCOc1ccc(NC(=O)NCCS(=O)(=O)CC)cc1C
InChIInChI=1S/C14H22N2O4S/c1-4-20-13-7-6-12(10-11(13)3)16-14(17)15-8-9-21(18,19)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyWAJDHAXXLPIYOC-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.95
Rot. Bonds7

About 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea

1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea (PubChem CID 56824411) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea
PubChem CID56824411
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea
SMILESCCOc1ccc(NC(=O)NCCS(=O)(=O)CC)cc1C
InChIInChI=1S/C14H22N2O4S/c1-4-20-13-7-6-12(10-11(13)3)16-14(17)15-8-9-21(18,19)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyWAJDHAXXLPIYOC-UHFFFAOYSA-N
XLogP1.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea (CID 56824411) is 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea is CCOc1ccc(NC(=O)NCCS(=O)(=O)CC)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea?
The InChIKey is WAJDHAXXLPIYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-20-13-7-6-12(10-11(13)3)16-14(17)15-8-9-21(18,19)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea?
1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea has a molecular weight of 314.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-3-(2-ethylsulfonylethyl)urea is sourced from PubChem (CID 56824411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).