2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C16H16F2N2O3S2 — CID 9044613

IUPAC2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2N2O3S2/c1-20(2)25(22,23)13-5-3-4-12(9-13)19-16(21)10-24-15-8-11(17)6-7-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyLWWIWYMTLBYNKF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.95
Rot. Bonds6

About 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 9044613) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID9044613
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2N2O3S2/c1-20(2)25(22,23)13-5-3-4-12(9-13)19-16(21)10-24-15-8-11(17)6-7-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyLWWIWYMTLBYNKF-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 9045999
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16508055
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307
N-[3-(dimethylsulfamoyl)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 55343544
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9454413
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4797677
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 9044613) is 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cc(F)ccc2F)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is LWWIWYMTLBYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c1-20(2)25(22,23)13-5-3-4-12(9-13)19-16(21)10-24-15-8-11(17)6-7-14(15)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9044613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).