2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide

C17H18F3N3O4S — CID 66656757

IUPAC2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide
SMILESCNCCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C17H18F3N3O4S/c1-22-6-7-23(10-16(21)24)28(25,26)13-8-14(19)17(15(20)9-13)27-12-4-2-11(18)3-5-12/h2-5,8-9,22H,6-7,10H2,1H3,(H2,21,24)
InChIKeyYVPLOMWMIMBFPC-UHFFFAOYSA-N
MW417.41 g/mol
LogP1.59
Rot. Bonds9

About 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide

2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide (PubChem CID 66656757) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide
PubChem CID66656757
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC Name2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide
SMILESCNCCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C17H18F3N3O4S/c1-22-6-7-23(10-16(21)24)28(25,26)13-8-14(19)17(15(20)9-13)27-12-4-2-11(18)3-5-12/h2-5,8-9,22H,6-7,10H2,1H3,(H2,21,24)
InChIKeyYVPLOMWMIMBFPC-UHFFFAOYSA-N
XLogP1.59
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide?
The IUPAC name of 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide (CID 66656757) is 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide.
What is the SMILES notation for 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide?
The canonical SMILES for 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide is CNCCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide?
The InChIKey is YVPLOMWMIMBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c1-22-6-7-23(10-16(21)24)28(25,26)13-8-14(19)17(15(20)9-13)27-12-4-2-11(18)3-5-12/h2-5,8-9,22H,6-7,10H2,1H3,(H2,21,24).
What are the key properties of 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide?
2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide has a molecular weight of 417.41 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide is sourced from PubChem (CID 66656757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).