1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea

C16H18N2O5S — CID 592766

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-11-4-7-13(8-5-11)24(20,21)18-16(19)17-14-9-6-12(22-2)10-15(14)23-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyDTFJCVKLBXSCLC-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.52
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea

1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 592766) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID592766
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-11-4-7-13(8-5-11)24(20,21)18-16(19)17-14-9-6-12(22-2)10-15(14)23-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyDTFJCVKLBXSCLC-UHFFFAOYSA-N
XLogP2.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea (CID 592766) is 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea is COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is DTFJCVKLBXSCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11-4-7-13(8-5-11)24(20,21)18-16(19)17-14-9-6-12(22-2)10-15(14)23-3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 350.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 592766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).