1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea

C24H27N3O4S2 — CID 25043502

IUPAC1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-16(2)17-5-7-18(8-6-17)25-24(32)26-22-14-13-21(31-4)15-23(22)33(28,29)27-19-9-11-20(30-3)12-10-19/h5-16,27H,1-4H3,(H2,25,26,32)
InChIKeyMIGXLYPEQAVICC-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.44
Rot. Bonds8

About 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea

1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 25043502) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID25043502
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-16(2)17-5-7-18(8-6-17)25-24(32)26-22-14-13-21(31-4)15-23(22)33(28,29)27-19-9-11-20(30-3)12-10-19/h5-16,27H,1-4H3,(H2,25,26,32)
InChIKeyMIGXLYPEQAVICC-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
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-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25044379
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
CID 25039010
1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25037283
1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
CID 25046526
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 4025966
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
1-(4-fluorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047618
1-[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]-3-(4-phenoxyphenyl)thiourea
CID 25047088
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea (CID 25043502) is 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea is COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is MIGXLYPEQAVICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-16(2)17-5-7-18(8-6-17)25-24(32)26-22-14-13-21(31-4)15-23(22)33(28,29)27-19-9-11-20(30-3)12-10-19/h5-16,27H,1-4H3,(H2,25,26,32).
What are the key properties of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea?
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 485.63 g/mol, XLogP of 5.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 25043502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).