2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide

C24H23Cl2N3O5S2 — CID 5194289

IUPAC2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)Oc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O5S2/c1-3-33-19-9-5-18(6-10-19)29-36(31,32)20-11-7-17(8-12-20)27-24(35)28-23(30)15(2)34-22-13-4-16(25)14-21(22)26/h4-15,29H,3H2,1-2H3,(H2,27,28,30,35)
InChIKeyWISXGEMHCVJAMJ-UHFFFAOYSA-N
MW568.50 g/mol
LogP5.47
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide

2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide (PubChem CID 5194289) has the molecular formula C24H23Cl2N3O5S2 and a molecular weight of 568.50 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide
PubChem CID5194289
Molecular FormulaC24H23Cl2N3O5S2
Molecular Weight568.50 g/mol
Exact Mass567.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)Oc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O5S2/c1-3-33-19-9-5-18(6-10-19)29-36(31,32)20-11-7-17(8-12-20)27-24(35)28-23(30)15(2)34-22-13-4-16(25)14-21(22)26/h4-15,29H,3H2,1-2H3,(H2,27,28,30,35)
InChIKeyWISXGEMHCVJAMJ-UHFFFAOYSA-N
XLogP5.47
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.50
LogP ≤ 55.47
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

2-(2,4-dichlorophenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 5194118
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 17108697
2-(2,4-dichlorophenoxy)-N-[(3,4-dimethylphenyl)carbamothioyl]propanamide
CID 5181953
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 5137130
5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051179
4-butan-2-yloxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17141560
N-[4-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]phenyl]thiophene-2-carboxamide
CID 4204410
methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
CID 55709148
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
5-bromo-2-butoxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17350442
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide (CID 5194289) is 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)Oc3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide?
The InChIKey is WISXGEMHCVJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O5S2/c1-3-33-19-9-5-18(6-10-19)29-36(31,32)20-11-7-17(8-12-20)27-24(35)28-23(30)15(2)34-22-13-4-16(25)14-21(22)26/h4-15,29H,3H2,1-2H3,(H2,27,28,30,35).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide has a molecular weight of 568.50 g/mol, XLogP of 5.47, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 5194289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).