1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea

C18H24FN3O3S2 — CID 24612971

IUPAC1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(C)c2ccc(F)cc2)s1
InChIInChI=1S/C18H24FN3O3S2/c1-4-22(5-2)27(24,25)17-11-10-16(26-17)12-20-18(23)21-13(3)14-6-8-15(19)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H2,20,21,23)
InChIKeyAZHHNAOTNVYYET-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.48
Rot. Bonds8

About 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea

1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea (PubChem CID 24612971) has the molecular formula C18H24FN3O3S2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
PubChem CID24612971
Molecular FormulaC18H24FN3O3S2
Molecular Weight413.54 g/mol
Exact Mass413.12
IUPAC Name1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(C)c2ccc(F)cc2)s1
InChIInChI=1S/C18H24FN3O3S2/c1-4-22(5-2)27(24,25)17-11-10-16(26-17)12-20-18(23)21-13(3)14-6-8-15(19)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H2,20,21,23)
InChIKeyAZHHNAOTNVYYET-UHFFFAOYSA-N
XLogP3.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 24613018
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55769812
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55384100
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 167918686
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea;hydrochloride
CID 167918685
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 52525151
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 43048057

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea (CID 24612971) is 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(C)c2ccc(F)cc2)s1.
What is the InChIKey of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea?
The InChIKey is AZHHNAOTNVYYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3S2/c1-4-22(5-2)27(24,25)17-11-10-16(26-17)12-20-18(23)21-13(3)14-6-8-15(19)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea?
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea has a molecular weight of 413.54 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 24612971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).