1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C20H23F3N4O4S — CID 24894562

IUPAC1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H23F3N4O4S/c21-20(22,23)15-4-6-16(7-5-15)25-19(28)26-17-2-1-3-18(14-17)32(29,30)24-8-9-27-10-12-31-13-11-27/h1-7,14,24H,8-13H2,(H2,25,26,28)
InChIKeyKBDPOEOVIJNKND-UHFFFAOYSA-N
MW472.49 g/mol
LogP2.96
Rot. Bonds7

About 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 24894562) has the molecular formula C20H23F3N4O4S and a molecular weight of 472.49 g/mol. Its IUPAC name is 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID24894562
Molecular FormulaC20H23F3N4O4S
Molecular Weight472.49 g/mol
Exact Mass472.14
IUPAC Name1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H23F3N4O4S/c21-20(22,23)15-4-6-16(7-5-15)25-19(28)26-17-2-1-3-18(14-17)32(29,30)24-8-9-27-10-12-31-13-11-27/h1-7,14,24H,8-13H2,(H2,25,26,28)
InChIKeyKBDPOEOVIJNKND-UHFFFAOYSA-N
XLogP2.96
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 24894562) is 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is KBDPOEOVIJNKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4S/c21-20(22,23)15-4-6-16(7-5-15)25-19(28)26-17-2-1-3-18(14-17)32(29,30)24-8-9-27-10-12-31-13-11-27/h1-7,14,24H,8-13H2,(H2,25,26,28).
What are the key properties of 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 472.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 24894562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).