N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide

C17H19NO4S — CID 12943033

IUPACN-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide
SMILESCCS(=O)(=O)Cc1ccc(Oc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-23(20,21)12-14-4-8-16(9-5-14)22-17-10-6-15(7-11-17)18-13(2)19/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyDXEFIFQEKHEQHD-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide

N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide (PubChem CID 12943033) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide
PubChem CID12943033
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide
SMILESCCS(=O)(=O)Cc1ccc(Oc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-23(20,21)12-14-4-8-16(9-5-14)22-17-10-6-15(7-11-17)18-13(2)19/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyDXEFIFQEKHEQHD-UHFFFAOYSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide (CID 12943033) is N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide is CCS(=O)(=O)Cc1ccc(Oc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide?
The InChIKey is DXEFIFQEKHEQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-23(20,21)12-14-4-8-16(9-5-14)22-17-10-6-15(7-11-17)18-13(2)19/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide?
N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 12943033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).