2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide

C13H16F2N2O2S — CID 56818131

IUPAC2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)CSCC(N)=O
InChIInChI=1S/C13H16F2N2O2S/c1-8(17-13(19)7-20-6-12(16)18)5-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGIXCAHWOOQIWRD-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.23
Rot. Bonds7

About 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide

2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 56818131) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID56818131
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)CSCC(N)=O
InChIInChI=1S/C13H16F2N2O2S/c1-8(17-13(19)7-20-6-12(16)18)5-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGIXCAHWOOQIWRD-UHFFFAOYSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide (CID 56818131) is 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide is CC(Cc1c(F)cccc1F)NC(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is GIXCAHWOOQIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c1-8(17-13(19)7-20-6-12(16)18)5-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide?
2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 302.35 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 56818131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).