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

C17H21N3O4S — CID 25040507

IUPAC1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-24-15-7-5-14(6-8-15)20-17(21)19-12-11-13-3-9-16(10-4-13)25(18,22)23/h3-10H,2,11-12H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyHFVCSRHRZIBULP-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.10
Rot. Bonds7

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

1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 25040507) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID25040507
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-24-15-7-5-14(6-8-15)20-17(21)19-12-11-13-3-9-16(10-4-13)25(18,22)23/h3-10H,2,11-12H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyHFVCSRHRZIBULP-UHFFFAOYSA-N
XLogP2.10
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]prop-2-enamide
CID 108855715
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 25040507) is 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is CCOc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is HFVCSRHRZIBULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-24-15-7-5-14(6-8-15)20-17(21)19-12-11-13-3-9-16(10-4-13)25(18,22)23/h3-10H,2,11-12H2,1H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 363.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 25040507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).