1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea

C17H20FN3O3S — CID 75833918

IUPAC1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20FN3O3S/c1-12(14-4-3-5-16(10-14)25(19,23)24)20-17(22)21(2)11-13-6-8-15(18)9-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyAFDHKAWXPYTNRZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.38
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea

1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 75833918) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
PubChem CID75833918
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20FN3O3S/c1-12(14-4-3-5-16(10-14)25(19,23)24)20-17(22)21(2)11-13-6-8-15(18)9-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyAFDHKAWXPYTNRZ-UHFFFAOYSA-N
XLogP2.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea (CID 75833918) is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea is CC(NC(=O)N(C)Cc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The InChIKey is AFDHKAWXPYTNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12(14-4-3-5-16(10-14)25(19,23)24)20-17(22)21(2)11-13-6-8-15(18)9-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 365.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 75833918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).