2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

C21H24ClN3O6S — CID 55533606

IUPAC2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H24ClN3O6S/c1-14(26)15-5-8-17(9-6-15)32(29,30)25(3)13-21(28)24(2)12-20(27)23-18-11-16(22)7-10-19(18)31-4/h5-11H,12-13H2,1-4H3,(H,23,27)
InChIKeyKQCGYILKTVMYCV-UHFFFAOYSA-N
MW481.96 g/mol
LogP2.27
Rot. Bonds9

About 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 55533606) has the molecular formula C21H24ClN3O6S and a molecular weight of 481.96 g/mol. Its IUPAC name is 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID55533606
Molecular FormulaC21H24ClN3O6S
Molecular Weight481.96 g/mol
Exact Mass481.11
IUPAC Name2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H24ClN3O6S/c1-14(26)15-5-8-17(9-6-15)32(29,30)25(3)13-21(28)24(2)12-20(27)23-18-11-16(22)7-10-19(18)31-4/h5-11H,12-13H2,1-4H3,(H,23,27)
InChIKeyKQCGYILKTVMYCV-UHFFFAOYSA-N
XLogP2.27
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide
CID 55666824
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
tert-butyl N-[5-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654571
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
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-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8620835
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 9014966
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 55533606) is 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is KQCGYILKTVMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O6S/c1-14(26)15-5-8-17(9-6-15)32(29,30)25(3)13-21(28)24(2)12-20(27)23-18-11-16(22)7-10-19(18)31-4/h5-11H,12-13H2,1-4H3,(H,23,27).
What are the key properties of 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 481.96 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 55533606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).