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

C10H15N3O3S — CID 24685233

IUPAC1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-2-12-10(14)13-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,2,7H2,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyPSQILNHHCNIBOY-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.15
Rot. Bonds4

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

1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 24685233) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID24685233
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-2-12-10(14)13-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,2,7H2,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyPSQILNHHCNIBOY-UHFFFAOYSA-N
XLogP0.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 3655603
(2S)-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 939163
4-[(4-sulfamoylphenyl)methylcarbamoylamino]butanoic acid
CID 61183507
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
1-(2,3,4,5,6-pentafluorophenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 11269442
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950
1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915064
methyl (2R,3R)-3-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
CID 51432316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea (CID 24685233) is 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea is CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is PSQILNHHCNIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-12-10(14)13-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,2,7H2,1H3,(H2,11,15,16)(H2,12,13,14).
What are the key properties of 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea?
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 257.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 24685233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).