N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C23H24ClN3O6S2 — CID 4155954

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24ClN3O6S2/c1-3-33-22-7-5-4-6-21(22)27(34(2,29)30)16-23(28)25-18-12-14-20(15-13-18)35(31,32)26-19-10-8-17(24)9-11-19/h4-15,26H,3,16H2,1-2H3,(H,25,28)
InChIKeyLXAZBQNTPSRCQC-UHFFFAOYSA-N
MW538.05 g/mol
LogP3.94
Rot. Bonds10

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 4155954) has the molecular formula C23H24ClN3O6S2 and a molecular weight of 538.05 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID4155954
Molecular FormulaC23H24ClN3O6S2
Molecular Weight538.05 g/mol
Exact Mass537.08
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24ClN3O6S2/c1-3-33-22-7-5-4-6-21(22)27(34(2,29)30)16-23(28)25-18-12-14-20(15-13-18)35(31,32)26-19-10-8-17(24)9-11-19/h4-15,26H,3,16H2,1-2H3,(H,25,28)
InChIKeyLXAZBQNTPSRCQC-UHFFFAOYSA-N
XLogP3.94
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.05
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126186135
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 21372080
2-(2-bromo-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882152
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502510
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
2-(2-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55359292
methyl 2-chloro-5-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126317794
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 4155954) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is LXAZBQNTPSRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S2/c1-3-33-22-7-5-4-6-21(22)27(34(2,29)30)16-23(28)25-18-12-14-20(15-13-18)35(31,32)26-19-10-8-17(24)9-11-19/h4-15,26H,3,16H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 538.05 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 4155954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).