1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea

C18H24BrN3O3S2 — CID 55769812

IUPAC1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NCc2cc(Br)cs2)cc1
InChIInChI=1S/C18H24BrN3O3S2/c1-4-22(5-2)27(24,25)17-8-6-14(7-9-17)13(3)21-18(23)20-11-16-10-15(19)12-26-16/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,23)
InChIKeyVEGPQKLBNODLQZ-UHFFFAOYSA-N
MW474.45 g/mol
LogP4.10
Rot. Bonds8

About 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea

1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea (PubChem CID 55769812) has the molecular formula C18H24BrN3O3S2 and a molecular weight of 474.45 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
PubChem CID55769812
Molecular FormulaC18H24BrN3O3S2
Molecular Weight474.45 g/mol
Exact Mass473.04
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NCc2cc(Br)cs2)cc1
InChIInChI=1S/C18H24BrN3O3S2/c1-4-22(5-2)27(24,25)17-8-6-14(7-9-17)13(3)21-18(23)20-11-16-10-15(19)12-26-16/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,23)
InChIKeyVEGPQKLBNODLQZ-UHFFFAOYSA-N
XLogP4.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 167918686
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 52525151
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea;hydrochloride
CID 167918685
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea
CID 46486352
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 16608992
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 24612971
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea (CID 55769812) is 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NCc2cc(Br)cs2)cc1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The InChIKey is VEGPQKLBNODLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O3S2/c1-4-22(5-2)27(24,25)17-8-6-14(7-9-17)13(3)21-18(23)20-11-16-10-15(19)12-26-16/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea has a molecular weight of 474.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea is sourced from PubChem (CID 55769812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).