2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide

C18H20Cl2N2O4S — CID 45372744

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-26-17-8-7-14(10-15(17)20)27(24,25)22(3)11-18(23)21-16-9-13(19)6-5-12(16)2/h5-10H,4,11H2,1-3H3,(H,21,23)
InChIKeyXGHDZEGBFRSFBG-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.96
Rot. Bonds7

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 45372744) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID45372744
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-26-17-8-7-14(10-15(17)20)27(24,25)22(3)11-18(23)21-16-9-13(19)6-5-12(16)2/h5-10H,4,11H2,1-3H3,(H,21,23)
InChIKeyXGHDZEGBFRSFBG-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 45373911
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100798090
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 45372712
N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373120
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 55549796
N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45372774
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 100797392
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide (CID 45372744) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is XGHDZEGBFRSFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-4-26-17-8-7-14(10-15(17)20)27(24,25)22(3)11-18(23)21-16-9-13(19)6-5-12(16)2/h5-10H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 431.34 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 45372744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).