N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide

C19H20ClFN2O5S — CID 55996549

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O5S/c1-12(29(26,27)15-7-5-14(21)6-8-15)19(25)23(2)11-18(24)22-16-10-13(20)4-9-17(16)28-3/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyQKJXYOMWJJWNDX-UHFFFAOYSA-N
MW442.90 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide (PubChem CID 55996549) has the molecular formula C19H20ClFN2O5S and a molecular weight of 442.90 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide
PubChem CID55996549
Molecular FormulaC19H20ClFN2O5S
Molecular Weight442.90 g/mol
Exact Mass442.08
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O5S/c1-12(29(26,27)15-7-5-14(21)6-8-15)19(25)23(2)11-18(24)22-16-10-13(20)4-9-17(16)28-3/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyQKJXYOMWJJWNDX-UHFFFAOYSA-N
XLogP2.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 27245125
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46512444
2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55533606
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800459
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2540668
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide (CID 55996549) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is QKJXYOMWJJWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O5S/c1-12(29(26,27)15-7-5-14(21)6-8-15)19(25)23(2)11-18(24)22-16-10-13(20)4-9-17(16)28-3/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 442.90 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 55996549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).