3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea

C15H24FN3O3S — CID 56782564

IUPAC3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O3S/c1-4-19(5-2)23(21,22)11-10-17-15(20)18(3)12-13-6-8-14(16)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyYJCPODZVJWDYOF-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.64
Rot. Bonds8

About 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea

3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea (PubChem CID 56782564) has the molecular formula C15H24FN3O3S and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
PubChem CID56782564
Molecular FormulaC15H24FN3O3S
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC Name3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O3S/c1-4-19(5-2)23(21,22)11-10-17-15(20)18(3)12-13-6-8-14(16)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyYJCPODZVJWDYOF-UHFFFAOYSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 39360668
3-[3-[ethyl(methylsulfonyl)amino]propyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111307694
1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 9266283
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33402548
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
CID 154749821
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618292
4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 51265193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea (CID 56782564) is 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea is CCN(CC)S(=O)(=O)CCNC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea?
The InChIKey is YJCPODZVJWDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S/c1-4-19(5-2)23(21,22)11-10-17-15(20)18(3)12-13-6-8-14(16)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,17,20).
What are the key properties of 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea?
3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea has a molecular weight of 345.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 56782564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).