1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea

C21H24F3N3O4S — CID 147698869

IUPAC1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILESCCCS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C21H24F3N3O4S/c1-2-11-32(29,30)15-6-7-16(18-5-3-4-10-31-18)17(13-15)26-20(28)27-19-12-14(8-9-25-19)21(22,23)24/h6-9,12-13,18H,2-5,10-11H2,1H3,(H2,25,26,27,28)
InChIKeyGSLOLORVZHAWDN-UHFFFAOYSA-N
MW471.50 g/mol
LogP5.17
Rot. Bonds6

About 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea

1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 147698869) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID147698869
Molecular FormulaC21H24F3N3O4S
Molecular Weight471.50 g/mol
Exact Mass471.14
IUPAC Name1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILESCCCS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C21H24F3N3O4S/c1-2-11-32(29,30)15-6-7-16(18-5-3-4-10-31-18)17(13-15)26-20(28)27-19-12-14(8-9-25-19)21(22,23)24/h6-9,12-13,18H,2-5,10-11H2,1H3,(H2,25,26,27,28)
InChIKeyGSLOLORVZHAWDN-UHFFFAOYSA-N
XLogP5.17
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-benzylsulfonyl-2-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-(3-chloro-4-fluorophenyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)-5-propylsulfonylphenyl]urea;1-(3-chlorophenyl)-3-[5-(2-cyclopropylethylsulfonyl)-2-(oxan-2-yl)phenyl]urea;1-[5-(2-cyclopropylethylsulfonyl)-2-(oxan-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[2-(3,6-dihydro-2H-pyran-4-yl)-5-propylsulfonylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[2-(3,6-dihydro-2H-pyran-4-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 161368130
1-[2-(cyclopropylmethoxy)-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 90101712
1-[2-(cyclopropylmethylamino)-5-propylsulfonyl-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157197697
1-[2-(oxolan-2-ylmethoxy)-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90100560
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 99819991
N-(1-cyclohexylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329261
1-(2-phenyl-5-propylsulfonylphenyl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 160698394
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
1-(2-methylsulfanylethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 154798205
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
1-[5-(cyclopropylmethylsulfonyl)-2-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 159703021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea (CID 147698869) is 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea is CCCS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is GSLOLORVZHAWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-2-11-32(29,30)15-6-7-16(18-5-3-4-10-31-18)17(13-15)26-20(28)27-19-12-14(8-9-25-19)21(22,23)24/h6-9,12-13,18H,2-5,10-11H2,1H3,(H2,25,26,27,28).
What are the key properties of 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 471.50 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yl)-5-propylsulfonylphenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 147698869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).