N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H18ClNO4S — CID 115950284

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-13(2,3)19-8-12(16)15-11-7-9(20(4,17)18)5-6-10(11)14/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyHGKHNQUEMMPZNB-UHFFFAOYSA-N
MW319.81 g/mol
LogP2.50
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115950284) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115950284
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-13(2,3)19-8-12(16)15-11-7-9(20(4,17)18)5-6-10(11)14/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyHGKHNQUEMMPZNB-UHFFFAOYSA-N
XLogP2.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(methanesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949812
trans-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7778004
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
CID 112604455
2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 7432976
N-(2-chloro-5-methylsulfonylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655779
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503052
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7871878
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2662027

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115950284) is N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is HGKHNQUEMMPZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-13(2,3)19-8-12(16)15-11-7-9(20(4,17)18)5-6-10(11)14/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 319.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115950284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).