1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea

C15H18N4O5S — CID 71718790

IUPAC1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N4O5S/c1-23-12-7-8-14(24-2)13(9-12)18-15(20)17-10-3-5-11(6-4-10)19-25(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyOJJJQCPLBGTLKH-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.96
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71718790) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71718790
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N4O5S/c1-23-12-7-8-14(24-2)13(9-12)18-15(20)17-10-3-5-11(6-4-10)19-25(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyOJJJQCPLBGTLKH-UHFFFAOYSA-N
XLogP1.96
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea 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-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71718790) is 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is OJJJQCPLBGTLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-23-12-7-8-14(24-2)13(9-12)18-15(20)17-10-3-5-11(6-4-10)19-25(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 366.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71718790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).