3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea

C20H24FN3O3S — CID 20782336

IUPAC3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2F)cc1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H24FN3O3S/c1-23(17-11-13-24(14-12-17)28(2,26)27)20(25)22-16-9-7-15(8-10-16)18-5-3-4-6-19(18)21/h3-10,17H,11-14H2,1-2H3,(H,22,25)
InChIKeyOFDQBAVPNJGCRS-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.38
Rot. Bonds4

About 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea

3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 20782336) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID20782336
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2F)cc1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H24FN3O3S/c1-23(17-11-13-24(14-12-17)28(2,26)27)20(25)22-16-9-7-15(8-10-16)18-5-3-4-6-19(18)21/h3-10,17H,11-14H2,1-2H3,(H,22,25)
InChIKeyOFDQBAVPNJGCRS-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10224124
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782228
1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782268
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10158780
1-methyl-3-[5-(3-methylphenyl)thiophen-2-yl]-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 142149094
1-[1-(cyanomethyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782233
N-cyclopropyl-2-[4-[methyl-[(4-phenylphenyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 20782512
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea;molecular hydrogen
CID 157434659
1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea
CID 70112392
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea (CID 20782336) is 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea is CN(C(=O)Nc1ccc(-c2ccccc2F)cc1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is OFDQBAVPNJGCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-23(17-11-13-24(14-12-17)28(2,26)27)20(25)22-16-9-7-15(8-10-16)18-5-3-4-6-19(18)21/h3-10,17H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 405.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 20782336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).