1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea

C12H17N3O4S — CID 116658847

IUPAC1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H17N3O4S/c1-19-10-6-5-9(7-11(10)20(13,17)18)15-12(16)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyBEAWPHVGEZOQPZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.02
Rot. Bonds4

About 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea

1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea (PubChem CID 116658847) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
PubChem CID116658847
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H17N3O4S/c1-19-10-6-5-9(7-11(10)20(13,17)18)15-12(16)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyBEAWPHVGEZOQPZ-UHFFFAOYSA-N
XLogP1.02
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
CID 82034660
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60631239
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea (CID 116658847) is 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea is COc1ccc(NC(=O)NC2CCC2)cc1S(N)(=O)=O.
What is the InChIKey of 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea?
The InChIKey is BEAWPHVGEZOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-10-6-5-9(7-11(10)20(13,17)18)15-12(16)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea?
1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea has a molecular weight of 299.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea is sourced from PubChem (CID 116658847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).