1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

C15H18N4O4S — CID 71273629

IUPAC1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C15H18N4O4S/c1-10-3-8-14(23-2)13(9-10)18-15(20)17-11-4-6-12(7-5-11)19-24(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyGTUSXXHBEGOBNO-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71273629) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71273629
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C15H18N4O4S/c1-10-3-8-14(23-2)13(9-10)18-15(20)17-11-4-6-12(7-5-11)19-24(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyGTUSXXHBEGOBNO-UHFFFAOYSA-N
XLogP2.26
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71273629) is 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is COc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is GTUSXXHBEGOBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-3-8-14(23-2)13(9-10)18-15(20)17-11-4-6-12(7-5-11)19-24(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 350.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71273629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).