1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea

C12H19N3O3S2 — CID 19680553

IUPAC1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)NCCOC)cc1
InChIInChI=1S/C12H19N3O3S2/c1-3-14-20(16,17)11-6-4-10(5-7-11)15-12(19)13-8-9-18-2/h4-7,14H,3,8-9H2,1-2H3,(H2,13,15,19)
InChIKeyDAGLAPSWLAXTKO-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.92
Rot. Bonds7

About 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea

1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea (PubChem CID 19680553) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
PubChem CID19680553
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)NCCOC)cc1
InChIInChI=1S/C12H19N3O3S2/c1-3-14-20(16,17)11-6-4-10(5-7-11)15-12(19)13-8-9-18-2/h4-7,14H,3,8-9H2,1-2H3,(H2,13,15,19)
InChIKeyDAGLAPSWLAXTKO-UHFFFAOYSA-N
XLogP0.92
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea 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-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyethyl)thiourea
CID 19678582
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679043
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
1-[4-(ethylsulfamoyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 17255659
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
N-[4-[(3-methoxypropylcarbamothioylamino)sulfamoyl]phenyl]acetamide
CID 2205179
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
CID 55846819
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea (CID 19680553) is 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea is CCNS(=O)(=O)c1ccc(NC(=S)NCCOC)cc1.
What is the InChIKey of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is DAGLAPSWLAXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-14-20(16,17)11-6-4-10(5-7-11)15-12(19)13-8-9-18-2/h4-7,14H,3,8-9H2,1-2H3,(H2,13,15,19).
What are the key properties of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea?
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 317.44 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 19680553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).