1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea

C15H17N3O4S — CID 27870188

IUPAC1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-22-13-6-2-11(3-7-13)10-17-15(19)18-12-4-8-14(9-5-12)23(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyVVTNCBAXASZQLS-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.66
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea

1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 27870188) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
PubChem CID27870188
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-22-13-6-2-11(3-7-13)10-17-15(19)18-12-4-8-14(9-5-12)23(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyVVTNCBAXASZQLS-UHFFFAOYSA-N
XLogP1.66
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 108886735
1-(4-sulfamoylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24650999
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea (CID 27870188) is 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea is COc1ccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is VVTNCBAXASZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-13-6-2-11(3-7-13)10-17-15(19)18-12-4-8-14(9-5-12)23(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 335.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27870188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).