1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea

C13H18F3N3O4S — CID 118777029

IUPAC1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCS(=O)(=O)NC)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O4S/c1-3-23-11-5-4-9(8-10(11)13(14,15)16)19-12(20)18-6-7-24(21,22)17-2/h4-5,8,17H,3,6-7H2,1-2H3,(H2,18,19,20)
InChIKeyRDHZBRSHRRSVBB-UHFFFAOYSA-N
MW369.37 g/mol
LogP1.77
Rot. Bonds7

About 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea

1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea (PubChem CID 118777029) has the molecular formula C13H18F3N3O4S and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea
PubChem CID118777029
Molecular FormulaC13H18F3N3O4S
Molecular Weight369.37 g/mol
Exact Mass369.10
IUPAC Name1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCS(=O)(=O)NC)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O4S/c1-3-23-11-5-4-9(8-10(11)13(14,15)16)19-12(20)18-6-7-24(21,22)17-2/h4-5,8,17H,3,6-7H2,1-2H3,(H2,18,19,20)
InChIKeyRDHZBRSHRRSVBB-UHFFFAOYSA-N
XLogP1.77
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide
CID 118760768
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-3-pentylurea
CID 69190108
2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
CID 106340736
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
4-ethoxy-3-(trifluoromethyl)benzenesulfonic acid
CID 174921515
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24604753
4-[[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122092297
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea?
The IUPAC name of 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea (CID 118777029) is 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea?
The canonical SMILES for 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea is CCOc1ccc(NC(=O)NCCS(=O)(=O)NC)cc1C(F)(F)F.
What is the InChIKey of 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea?
The InChIKey is RDHZBRSHRRSVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4S/c1-3-23-11-5-4-9(8-10(11)13(14,15)16)19-12(20)18-6-7-24(21,22)17-2/h4-5,8,17H,3,6-7H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea?
1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea has a molecular weight of 369.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea is sourced from PubChem (CID 118777029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).