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

C23H25N3O5S2 — CID 25035110

IUPAC1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
SMILESCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-4-31-19-11-7-17(8-12-19)26-33(27,28)22-15-20(30-3)13-14-21(22)25-23(32)24-16-5-9-18(29-2)10-6-16/h5-15,26H,4H2,1-3H3,(H2,24,25,32)
InChIKeyXLCFQZBIJFDFNW-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.71
Rot. Bonds9

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

1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea (PubChem CID 25035110) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
PubChem CID25035110
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
SMILESCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-4-31-19-11-7-17(8-12-19)26-33(27,28)22-15-20(30-3)13-14-21(22)25-23(32)24-16-5-9-18(29-2)10-6-16/h5-15,26H,4H2,1-3H3,(H2,24,25,32)
InChIKeyXLCFQZBIJFDFNW-UHFFFAOYSA-N
XLogP4.71
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
CID 25039010
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25043502
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25044379
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25037283
1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
CID 25046526
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-(4-butylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea (CID 25035110) is 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea is CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea?
The InChIKey is XLCFQZBIJFDFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-4-31-19-11-7-17(8-12-19)26-33(27,28)22-15-20(30-3)13-14-21(22)25-23(32)24-16-5-9-18(29-2)10-6-16/h5-15,26H,4H2,1-3H3,(H2,24,25,32).
What are the key properties of 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea?
1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea has a molecular weight of 487.60 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 25035110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).