1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea

C25H23F2N3O4S — CID 129218871

IUPAC1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(F)cc3)C2=O)c(F)c1
InChIInChI=1S/C25H23F2N3O4S/c1-35(33,34)23-7-3-2-5-19(23)16-8-13-22(20(27)15-16)30-14-4-6-21(24(30)31)29-25(32)28-18-11-9-17(26)10-12-18/h2-3,5,7-13,15,21H,4,6,14H2,1H3,(H2,28,29,32)
InChIKeyFTRIDQKZSFIDSE-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.35
Rot. Bonds5

About 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea

1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 129218871) has the molecular formula C25H23F2N3O4S and a molecular weight of 499.54 g/mol. Its IUPAC name is 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID129218871
Molecular FormulaC25H23F2N3O4S
Molecular Weight499.54 g/mol
Exact Mass499.14
IUPAC Name1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(F)cc3)C2=O)c(F)c1
InChIInChI=1S/C25H23F2N3O4S/c1-35(33,34)23-7-3-2-5-19(23)16-8-13-22(20(27)15-16)30-14-4-6-21(24(30)31)29-25(32)28-18-11-9-17(26)10-12-18/h2-3,5,7-13,15,21H,4,6,14H2,1H3,(H2,28,29,32)
InChIKeyFTRIDQKZSFIDSE-UHFFFAOYSA-N
XLogP4.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea with MolForge

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Related Compounds

4-Substituted Pyrrolidine Ring, 20
CID 16749189
4-Substituted Pyrrolidine Ring, 21
CID 16749190
P1 Phenyl Ring, 27
CID 21025981
P1 Phenyl Ring, 24
CID 21025982
P1 Phenyl Ring, 25
CID 21025984
US10717708, Example 183
CID 129226715
US10717708, Example 66
CID 129226939
US11186544, Example 212
CID 142493723
US11124494, Example 42
CID 156159258
4-Substituted Pyrrolidine Ring, 17
CID 54592298
4-Substituted Pyrrolidine Ring, 36
CID 54592301
1-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]cycloprop-2-ene-1-carboxamide
CID 24916957

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea (CID 129218871) is 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(F)cc3)C2=O)c(F)c1.
What is the InChIKey of 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is FTRIDQKZSFIDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4S/c1-35(33,34)23-7-3-2-5-19(23)16-8-13-22(20(27)15-16)30-14-4-6-21(24(30)31)29-25(32)28-18-11-9-17(26)10-12-18/h2-3,5,7-13,15,21H,4,6,14H2,1H3,(H2,28,29,32).
What are the key properties of 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea?
1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 499.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 129218871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).