1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea

C16H19N3O3S2 — CID 19680097

IUPAC1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea
SMILESCNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C16H19N3O3S2/c1-11-4-9-15(22-3)14(10-11)19-16(23)18-12-5-7-13(8-6-12)24(20,21)17-2/h4-10,17H,1-3H3,(H2,18,19,23)
InChIKeyPZUUJKIUMSAGOI-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea

1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea (PubChem CID 19680097) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea
PubChem CID19680097
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea
SMILESCNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C16H19N3O3S2/c1-11-4-9-15(22-3)14(10-11)19-16(23)18-12-5-7-13(8-6-12)24(20,21)17-2/h4-10,17H,1-3H3,(H2,18,19,23)
InChIKeyPZUUJKIUMSAGOI-UHFFFAOYSA-N
XLogP2.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
CID 2205372
1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 17299667
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
CID 17264293
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
1-(2-methoxy-5-methylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3433038
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18091865
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea (CID 19680097) is 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea is CNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea?
The InChIKey is PZUUJKIUMSAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11-4-9-15(22-3)14(10-11)19-16(23)18-12-5-7-13(8-6-12)24(20,21)17-2/h4-10,17H,1-3H3,(H2,18,19,23).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea?
1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea has a molecular weight of 365.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 19680097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).