1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

C20H18F3N3O4S2 — CID 90101439

IUPAC1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NCCO)ccc1-c1ccsc1
InChIInChI=1S/C20H18F3N3O4S2/c21-20(22,23)14-2-1-3-15(10-14)25-19(28)26-18-11-16(32(29,30)24-7-8-27)4-5-17(18)13-6-9-31-12-13/h1-6,9-12,24,27H,7-8H2,(H2,25,26,28)
InChIKeyYOMYDPWOBJJRTQ-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.35
Rot. Bonds7

About 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 90101439) has the molecular formula C20H18F3N3O4S2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID90101439
Molecular FormulaC20H18F3N3O4S2
Molecular Weight485.51 g/mol
Exact Mass485.07
IUPAC Name1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NCCO)ccc1-c1ccsc1
InChIInChI=1S/C20H18F3N3O4S2/c21-20(22,23)14-2-1-3-15(10-14)25-19(28)26-18-11-16(32(29,30)24-7-8-27)4-5-17(18)13-6-9-31-12-13/h1-6,9-12,24,27H,7-8H2,(H2,25,26,28)
InChIKeyYOMYDPWOBJJRTQ-UHFFFAOYSA-N
XLogP4.35
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(hydroxymethyl)-3-methylbutyl]sulfonyl-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157261681
1-[5-[(cyclopropylamino)-hydroxymethyl]-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 134570362
1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea
CID 137483089
N-cyclopropyl-1-[4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]cyclobutane-1-carboxamide
CID 126538990
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[2-ethylsulfinyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101232
1-(5-benzylsulfonyl-2-thiophen-3-ylphenyl)-3-(3,4-dimethylphenyl)urea
CID 159015703
N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 158395011
1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 34064102
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
1-[2-(3-cyclobutylphenyl)-5-(oxetan-3-ylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 147271864
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-phenylphenyl)urea;1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-phenylphenyl)urea;1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 161340753

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 90101439) is 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NCCO)ccc1-c1ccsc1.
What is the InChIKey of 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is YOMYDPWOBJJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S2/c21-20(22,23)14-2-1-3-15(10-14)25-19(28)26-18-11-16(32(29,30)24-7-8-27)4-5-17(18)13-6-9-31-12-13/h1-6,9-12,24,27H,7-8H2,(H2,25,26,28).
What are the key properties of 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 485.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90101439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).