N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide

C17H18Cl2N2O4S — CID 21368103

IUPACN-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
SMILESCN(Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O4S/c1-21(26(2,23)24)10-12-3-6-14(7-4-12)25-11-17(22)20-16-9-13(18)5-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyISOPCCVMLYSOGI-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.40
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide

N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide (PubChem CID 21368103) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
PubChem CID21368103
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
SMILESCN(Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O4S/c1-21(26(2,23)24)10-12-3-6-14(7-4-12)25-11-17(22)20-16-9-13(18)5-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyISOPCCVMLYSOGI-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4531228
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130359
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 126327645
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888548

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide (CID 21368103) is N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide is CN(Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
The InChIKey is ISOPCCVMLYSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-21(26(2,23)24)10-12-3-6-14(7-4-12)25-11-17(22)20-16-9-13(18)5-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide has a molecular weight of 417.31 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 21368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).