1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea

C17H22N4O7S2 — CID 162667381

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
SMILESCOc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C17H22N4O7S2/c1-27-13-5-8-15(16(11-13)28-2)20-17(22)19-9-10-29(23,24)21-12-3-6-14(7-4-12)30(18,25)26/h3-8,11,21H,9-10H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
InChIKeyYHDQKRLQEYIZTD-UHFFFAOYSA-N
MW458.52 g/mol
LogP0.91
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea

1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea (PubChem CID 162667381) has the molecular formula C17H22N4O7S2 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
PubChem CID162667381
Molecular FormulaC17H22N4O7S2
Molecular Weight458.52 g/mol
Exact Mass458.09
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
SMILESCOc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C17H22N4O7S2/c1-27-13-5-8-15(16(11-13)28-2)20-17(22)19-9-10-29(23,24)21-12-3-6-14(7-4-12)30(18,25)26/h3-8,11,21H,9-10H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
InChIKeyYHDQKRLQEYIZTD-UHFFFAOYSA-N
XLogP0.91
TPSA165.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121063367
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea (CID 162667381) is 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea is COc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The InChIKey is YHDQKRLQEYIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O7S2/c1-27-13-5-8-15(16(11-13)28-2)20-17(22)19-9-10-29(23,24)21-12-3-6-14(7-4-12)30(18,25)26/h3-8,11,21H,9-10H2,1-2H3,(H2,18,25,26)(H2,19,20,22).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea has a molecular weight of 458.52 g/mol, XLogP of 0.91, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea is sourced from PubChem (CID 162667381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).