N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide

C11H15NO5S — CID 101305288

IUPACN-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
SMILESCOc1c(NC(C)=O)cccc1S(=O)(=O)CCO
InChIInChI=1S/C11H15NO5S/c1-8(14)12-9-4-3-5-10(11(9)17-2)18(15,16)7-6-13/h3-5,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyVOLKIDGSSKBQPB-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.42
Rot. Bonds5

About N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide

N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide (PubChem CID 101305288) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
PubChem CID101305288
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC NameN-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
SMILESCOc1c(NC(C)=O)cccc1S(=O)(=O)CCO
InChIInChI=1S/C11H15NO5S/c1-8(14)12-9-4-3-5-10(11(9)17-2)18(15,16)7-6-13/h3-5,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyVOLKIDGSSKBQPB-UHFFFAOYSA-N
XLogP0.42
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide (CID 101305288) is N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide is COc1c(NC(C)=O)cccc1S(=O)(=O)CCO.
What is the InChIKey of N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
The InChIKey is VOLKIDGSSKBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(14)12-9-4-3-5-10(11(9)17-2)18(15,16)7-6-13/h3-5,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide has a molecular weight of 273.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 101305288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).