N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide

C20H25ClN2O5S — CID 45373402

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C20H25ClN2O5S/c1-5-23(13-20(24)22-17-12-15(21)7-9-19(17)27-4)29(25,26)16-8-10-18(28-6-2)14(3)11-16/h7-12H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyNSPJSDJFZRYYHG-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.71
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 45373402) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID45373402
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C20H25ClN2O5S/c1-5-23(13-20(24)22-17-12-15(21)7-9-19(17)27-4)29(25,26)16-8-10-18(28-6-2)14(3)11-16/h7-12H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyNSPJSDJFZRYYHG-UHFFFAOYSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373266
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 45373911
N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 28548744
N-(2,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373249
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100798090
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 92645586
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide (CID 45373402) is N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2OC)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is NSPJSDJFZRYYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-5-23(13-20(24)22-17-12-15(21)7-9-19(17)27-4)29(25,26)16-8-10-18(28-6-2)14(3)11-16/h7-12H,5-6,13H2,1-4H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 440.95 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 45373402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).