1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea

C17H25N3O4S — CID 23800118

IUPAC1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea
SMILESCc1ccc(NC(=O)NC(=O)N(C2CCCCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H25N3O4S/c1-12-9-10-15(13(2)11-12)18-16(21)19-17(22)20(25(3,23)24)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,18,19,21,22)
InChIKeyHYECLYHXSWUVJI-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.14
Rot. Bonds3

About 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea

1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea (PubChem CID 23800118) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea
PubChem CID23800118
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea
SMILESCc1ccc(NC(=O)NC(=O)N(C2CCCCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H25N3O4S/c1-12-9-10-15(13(2)11-12)18-16(21)19-17(22)20(25(3,23)24)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,18,19,21,22)
InChIKeyHYECLYHXSWUVJI-UHFFFAOYSA-N
XLogP3.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea 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-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8895898
1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea
CID 22510828
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea
CID 3255121
ethyl 4-[[cyclohexyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53091848
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea
CID 108912475

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea (CID 23800118) is 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea is Cc1ccc(NC(=O)NC(=O)N(C2CCCCC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea?
The InChIKey is HYECLYHXSWUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12-9-10-15(13(2)11-12)18-16(21)19-17(22)20(25(3,23)24)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea?
1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea has a molecular weight of 367.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea is sourced from PubChem (CID 23800118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).