N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide

C24H22Cl2N2O5S — CID 30168164

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H22Cl2N2O5S/c1-3-33-21-12-10-18(26)14-22(21)34(31,32)28(2)15-23(29)27-20-11-9-17(25)13-19(20)24(30)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,27,29)
InChIKeyNJEYGEAHIBJOKN-UHFFFAOYSA-N
MW521.42 g/mol
LogP4.88
Rot. Bonds9

About N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 30168164) has the molecular formula C24H22Cl2N2O5S and a molecular weight of 521.42 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID30168164
Molecular FormulaC24H22Cl2N2O5S
Molecular Weight521.42 g/mol
Exact Mass520.06
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H22Cl2N2O5S/c1-3-33-21-12-10-18(26)14-22(21)34(31,32)28(2)15-23(29)27-20-11-9-17(25)13-19(20)24(30)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,27,29)
InChIKeyNJEYGEAHIBJOKN-UHFFFAOYSA-N
XLogP4.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30168025
N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 30167910
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
CID 88844912
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 45372673
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide (CID 30168164) is N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide is CCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is NJEYGEAHIBJOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O5S/c1-3-33-21-12-10-18(26)14-22(21)34(31,32)28(2)15-23(29)27-20-11-9-17(25)13-19(20)24(30)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,27,29).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 521.42 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 30168164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).