2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide

C9H9F2NOS — CID 60665693

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NOS/c1-12-9(13)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyHCOQJYOHLJOQSM-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.80
Rot. Bonds3

About 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide

2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide (PubChem CID 60665693) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
PubChem CID60665693
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NOS/c1-12-9(13)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyHCOQJYOHLJOQSM-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 8926504
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 103770230
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011227
2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79140915
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-2-methylpentanoic acid
CID 43618993
2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 47126211
N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide
CID 27653287
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide (CID 60665693) is 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide is CNC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide?
The InChIKey is HCOQJYOHLJOQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c1-12-9(13)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide?
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide has a molecular weight of 217.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 60665693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).