1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea

C19H23N3O5S2 — CID 2488318

IUPAC1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)cc1
InChIInChI=1S/C19H23N3O5S2/c1-25-15-5-3-14(4-6-15)20-19(28)21-17-8-7-16(13-18(17)26-2)29(23,24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H2,20,21,28)
InChIKeyKGJFSGUYFROLBJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.53
Rot. Bonds6

About 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea

1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea (PubChem CID 2488318) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea
PubChem CID2488318
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)cc1
InChIInChI=1S/C19H23N3O5S2/c1-25-15-5-3-14(4-6-15)20-19(28)21-17-8-7-16(13-18(17)26-2)29(23,24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H2,20,21,28)
InChIKeyKGJFSGUYFROLBJ-UHFFFAOYSA-N
XLogP2.53
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)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-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea
CID 23884042
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
1-(4-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 53489000
1-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680447
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087
1-(4-fluorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047618
5-bromo-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17094493
1-(2,5-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271641
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2361261

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea (CID 2488318) is 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)cc1.
What is the InChIKey of 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea?
The InChIKey is KGJFSGUYFROLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-25-15-5-3-14(4-6-15)20-19(28)21-17-8-7-16(13-18(17)26-2)29(23,24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H2,20,21,28).
What are the key properties of 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea?
1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea has a molecular weight of 437.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 2488318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).