N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide

C17H18Cl2N2O4S — CID 45373120

IUPACN-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-3-25-13-5-7-14(8-6-13)26(23,24)21(2)11-17(22)20-16-9-4-12(18)10-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyLLUNBIVQCCFQFN-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.65
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide

N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 45373120) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID45373120
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC NameN-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-3-25-13-5-7-14(8-6-13)26(23,24)21(2)11-17(22)20-16-9-4-12(18)10-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyLLUNBIVQCCFQFN-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,5-dichlorophenyl)acetamide
CID 21371868
N-(4-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 51345158
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45372744
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide (CID 45373120) is N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is LLUNBIVQCCFQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-3-25-13-5-7-14(8-6-13)26(23,24)21(2)11-17(22)20-16-9-4-12(18)10-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 417.31 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 45373120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).