3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea

C17H18F2N2O3S — CID 47022409

IUPAC3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O3S/c1-11(12-4-7-14(8-5-12)25(3,23)24)21(2)17(22)20-16-9-6-13(18)10-15(16)19/h4-11H,1-3H3,(H,20,22)
InChIKeyYMEONVHESFULDW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.59
Rot. Bonds4

About 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea

3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 47022409) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID47022409
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O3S/c1-11(12-4-7-14(8-5-12)25(3,23)24)21(2)17(22)20-16-9-6-13(18)10-15(16)19/h4-11H,1-3H3,(H,20,22)
InChIKeyYMEONVHESFULDW-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea (CID 47022409) is 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is YMEONVHESFULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-11(12-4-7-14(8-5-12)25(3,23)24)21(2)17(22)20-16-9-6-13(18)10-15(16)19/h4-11H,1-3H3,(H,20,22).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea?
3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 368.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 47022409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).