N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide

C22H20Cl2N2O4S — CID 126133689

IUPACN-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-2-30-21-9-4-3-8-20(21)26(31(28,29)19-12-10-16(23)11-13-19)15-22(27)25-18-7-5-6-17(24)14-18/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyPRJYLVRTKKHJER-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.23
Rot. Bonds8

About N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide

N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide (PubChem CID 126133689) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
PubChem CID126133689
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC NameN-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-2-30-21-9-4-3-8-20(21)26(31(28,29)19-12-10-16(23)11-13-19)15-22(27)25-18-7-5-6-17(24)14-18/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyPRJYLVRTKKHJER-UHFFFAOYSA-N
XLogP5.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
N-(3-chlorophenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031125
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 126412632
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 1203950
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-pyrrolidin-1-ylphenyl)acetamide
CID 100502510
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3319169
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 51345275
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30171565

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide (CID 126133689) is N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide?
The InChIKey is PRJYLVRTKKHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-2-30-21-9-4-3-8-20(21)26(31(28,29)19-12-10-16(23)11-13-19)15-22(27)25-18-7-5-6-17(24)14-18/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide?
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide has a molecular weight of 479.39 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide is sourced from PubChem (CID 126133689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).