1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea

C18H24ClN3O3S2 — CID 24612288

IUPAC1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
SMILESCC(C)C(NC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O3S2/c1-12(2)17(13-5-7-14(19)8-6-13)21-18(23)20-11-15-9-10-16(26-15)27(24,25)22(3)4/h5-10,12,17H,11H2,1-4H3,(H2,20,21,23)
InChIKeyMXUGBSUVLNYCJG-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.85
Rot. Bonds7

About 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea

1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea (PubChem CID 24612288) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
PubChem CID24612288
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC Name1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
SMILESCC(C)C(NC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O3S2/c1-12(2)17(13-5-7-14(19)8-6-13)21-18(23)20-11-15-9-10-16(26-15)27(24,25)22(3)4/h5-10,12,17H,11H2,1-4H3,(H2,20,21,23)
InChIKeyMXUGBSUVLNYCJG-UHFFFAOYSA-N
XLogP3.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]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-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 24613018
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 41248093
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 24612971
N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 46486322
(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide
CID 52519602
N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793693
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46493902
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea (CID 24612288) is 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea is CC(C)C(NC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea?
The InChIKey is MXUGBSUVLNYCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S2/c1-12(2)17(13-5-7-14(19)8-6-13)21-18(23)20-11-15-9-10-16(26-15)27(24,25)22(3)4/h5-10,12,17H,11H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea?
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea has a molecular weight of 430.00 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea is sourced from PubChem (CID 24612288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).