N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

C24H23ClN2O5S — CID 30130872

IUPACN-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H23ClN2O5S/c1-17(28)18-7-5-8-20(14-18)26-24(29)16-32-22-12-10-21(11-13-22)27(33(2,30)31)15-19-6-3-4-9-23(19)25/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyQVBXXYAIUBDUGQ-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.53
Rot. Bonds9

About N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30130872) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30130872
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC NameN-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H23ClN2O5S/c1-17(28)18-7-5-8-20(14-18)26-24(29)16-32-22-12-10-21(11-13-22)27(33(2,30)31)15-19-6-3-4-9-23(19)25/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyQVBXXYAIUBDUGQ-UHFFFAOYSA-N
XLogP4.53
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 30130962
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130619
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30130967
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
CID 30128918
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30130659
N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131515
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
CID 30130647
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064
N,N-dibenzyl-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888618
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 30128970

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30130872) is N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is CC(=O)c1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is QVBXXYAIUBDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-17(28)18-7-5-8-20(14-18)26-24(29)16-32-22-12-10-21(11-13-22)27(33(2,30)31)15-19-6-3-4-9-23(19)25/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 486.98 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30130872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).