N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide

C20H23ClN2O5S — CID 55666825

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O5S/c1-4-11-29(26,27)18-8-6-5-7-15(18)20(25)23(2)13-19(24)22-16-12-14(21)9-10-17(16)28-3/h5-10,12H,4,11,13H2,1-3H3,(H,22,24)
InChIKeyRBFRNJBWHMDVBA-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide (PubChem CID 55666825) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide
PubChem CID55666825
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O5S/c1-4-11-29(26,27)18-8-6-5-7-15(18)20(25)23(2)13-19(24)22-16-12-14(21)9-10-17(16)28-3/h5-10,12H,4,11,13H2,1-3H3,(H,22,24)
InChIKeyRBFRNJBWHMDVBA-UHFFFAOYSA-N
XLogP3.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)sulfonylpropanamide
CID 8763575
3-(benzenesulfonylmethyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55466072
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 55388575
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 55329720
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332
6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 55474720
3-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 25162589
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide (CID 55666825) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide?
The InChIKey is RBFRNJBWHMDVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-4-11-29(26,27)18-8-6-5-7-15(18)20(25)23(2)13-19(24)22-16-12-14(21)9-10-17(16)28-3/h5-10,12H,4,11,13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide has a molecular weight of 438.93 g/mol, XLogP of 3.24, 8 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]-N-methyl-2-propylsulfonylbenzamide is sourced from PubChem (CID 55666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).