1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea

C24H27N3O4S2 — CID 25039010

IUPAC1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
SMILESCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O4S2/c1-5-31-19-9-7-18(8-10-19)27-33(28,29)23-15-20(30-4)11-13-22(23)26-24(32)25-21-12-6-16(2)14-17(21)3/h6-15,27H,5H2,1-4H3,(H2,25,26,32)
InChIKeyQMDIEYTUWMOADB-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.32
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea

1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea (PubChem CID 25039010) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
PubChem CID25039010
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
SMILESCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O4S2/c1-5-31-19-9-7-18(8-10-19)27-33(28,29)23-15-20(30-4)11-13-22(23)26-24(32)25-21-12-6-16(2)14-17(21)3/h6-15,27H,5H2,1-4H3,(H2,25,26,32)
InChIKeyQMDIEYTUWMOADB-UHFFFAOYSA-N
XLogP5.32
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
CID 25035110
1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25037283
1-(2,4-dimethylphenyl)-3-[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25036024
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25044379
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25043502
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303
1-[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]-3-(4-phenoxyphenyl)thiourea
CID 25047088
1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
CID 25046526
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea (CID 25039010) is 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea is CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea?
The InChIKey is QMDIEYTUWMOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-5-31-19-9-7-18(8-10-19)27-33(28,29)23-15-20(30-4)11-13-22(23)26-24(32)25-21-12-6-16(2)14-17(21)3/h6-15,27H,5H2,1-4H3,(H2,25,26,32).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea?
1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea has a molecular weight of 485.63 g/mol, XLogP of 5.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea is sourced from PubChem (CID 25039010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).