1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea

C24H27N3O3S2 — CID 19678857

IUPAC1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
SMILESCCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O3S2/c1-5-30-22-9-7-6-8-21(22)26-24(31)25-19-10-12-20(13-11-19)32(28,29)27-23-17(3)14-16(2)15-18(23)4/h6-15,27H,5H2,1-4H3,(H2,25,26,31)
InChIKeyRDZUPWSWAQFKHW-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.62
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea

1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 19678857) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
PubChem CID19678857
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC Name1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
SMILESCCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O3S2/c1-5-30-22-9-7-6-8-21(22)26-24(31)25-19-10-12-20(13-11-19)32(28,29)27-23-17(3)14-16(2)15-18(23)4/h6-15,27H,5H2,1-4H3,(H2,25,26,31)
InChIKeyRDZUPWSWAQFKHW-UHFFFAOYSA-N
XLogP5.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.62
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-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
1-(4-bromophenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678818
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
1-(2-methoxy-4-nitrophenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678846
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-ethoxybenzamide
CID 4926353
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 2712532
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea
CID 19678627
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea (CID 19678857) is 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea is CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is RDZUPWSWAQFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-5-30-22-9-7-6-8-21(22)26-24(31)25-19-10-12-20(13-11-19)32(28,29)27-23-17(3)14-16(2)15-18(23)4/h6-15,27H,5H2,1-4H3,(H2,25,26,31).
What are the key properties of 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea?
1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 469.63 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 19678857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).