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

C17H21N3O5S — CID 108989677

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C17H21N3O5S/c1-24-13-5-8-15(16(11-13)25-2)20-17(21)19-10-9-12-3-6-14(7-4-12)26(18,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyJDOFHHXPFQBCOF-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.72
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108989677) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108989677
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C17H21N3O5S/c1-24-13-5-8-15(16(11-13)25-2)20-17(21)19-10-9-12-3-6-14(7-4-12)26(18,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyJDOFHHXPFQBCOF-UHFFFAOYSA-N
XLogP1.72
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
CID 162667381
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111878913

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108989677) is 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is COc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is JDOFHHXPFQBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-13-5-8-15(16(11-13)25-2)20-17(21)19-10-9-12-3-6-14(7-4-12)26(18,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 379.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108989677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).