1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea

C16H19N3O4S2 — CID 1324283

IUPAC1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
SMILESCOc1ccc(OC)c(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H19N3O4S2/c1-22-12-5-8-15(23-2)14(9-12)19-16(24)18-10-11-3-6-13(7-4-11)25(17,20)21/h3-9H,10H2,1-2H3,(H2,17,20,21)(H2,18,19,24)
InChIKeyMAODCHAIVAHOFG-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.84
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea

1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea (PubChem CID 1324283) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
PubChem CID1324283
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
SMILESCOc1ccc(OC)c(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H19N3O4S2/c1-22-12-5-8-15(23-2)14(9-12)19-16(24)18-10-11-3-6-13(7-4-11)25(17,20)21/h3-9H,10H2,1-2H3,(H2,17,20,21)(H2,18,19,24)
InChIKeyMAODCHAIVAHOFG-UHFFFAOYSA-N
XLogP1.84
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]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

N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
1-(2-methoxy-5-methylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3433038
1-[(4-methoxyphenyl)methyl]-3-(3-sulfamoylphenyl)thiourea
CID 8620377
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
1-(2,5-dimethoxyphenyl)-3-[(3-iodophenyl)methyl]thiourea
CID 3436270
1-(5-chloro-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 17297940
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(cyclopropylmethyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 3840161
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea (CID 1324283) is 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea is COc1ccc(OC)c(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea?
The InChIKey is MAODCHAIVAHOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-22-12-5-8-15(23-2)14(9-12)19-16(24)18-10-11-3-6-13(7-4-11)25(17,20)21/h3-9H,10H2,1-2H3,(H2,17,20,21)(H2,18,19,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea?
1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea has a molecular weight of 381.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea is sourced from PubChem (CID 1324283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).