N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide

C23H23IN2O5S2 — CID 142489777

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(I)cc3)cc2)c1
InChIInChI=1S/C23H23IN2O5S2/c1-30-18-7-12-22(31-2)21(15-18)26-33(28,29)20-10-5-17(6-11-20)25-23(27)13-14-32-19-8-3-16(24)4-9-19/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyFCXWJNFOYDUJFE-UHFFFAOYSA-N
MW598.48 g/mol
LogP5.23
Rot. Bonds10

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide (PubChem CID 142489777) has the molecular formula C23H23IN2O5S2 and a molecular weight of 598.48 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide
PubChem CID142489777
Molecular FormulaC23H23IN2O5S2
Molecular Weight598.48 g/mol
Exact Mass598.01
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(I)cc3)cc2)c1
InChIInChI=1S/C23H23IN2O5S2/c1-30-18-7-12-22(31-2)21(15-18)26-33(28,29)20-10-5-17(6-11-20)25-23(27)13-14-32-19-8-3-16(24)4-9-19/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyFCXWJNFOYDUJFE-UHFFFAOYSA-N
XLogP5.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168521474
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 43876896
[3-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-3-oxoprop-1-ynyl] thiohypoiodite
CID 142489776
2-[(4-bromophenyl)methylsulfanyl]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126414292
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43882227
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide (CID 142489777) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(I)cc3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide?
The InChIKey is FCXWJNFOYDUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23IN2O5S2/c1-30-18-7-12-22(31-2)21(15-18)26-33(28,29)20-10-5-17(6-11-20)25-23(27)13-14-32-19-8-3-16(24)4-9-19/h3-12,15,26H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide has a molecular weight of 598.48 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide is sourced from PubChem (CID 142489777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).