1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea

C17H20N2O3S — CID 47033074

IUPAC1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-4-7-14(8-5-12)11-18-17(20)19-16-10-15(23(3,21)22)9-6-13(16)2/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyKTBVYVNHJOVYEQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea

1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 47033074) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID47033074
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-4-7-14(8-5-12)11-18-17(20)19-16-10-15(23(3,21)22)9-6-13(16)2/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyKTBVYVNHJOVYEQ-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)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-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)urea
CID 118773929
1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 51080320
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea (CID 47033074) is 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1.
What is the InChIKey of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is KTBVYVNHJOVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-7-14(8-5-12)11-18-17(20)19-16-10-15(23(3,21)22)9-6-13(16)2/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 332.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 47033074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).