N-[3-(difluoromethylsulfanyl)phenyl]acetamide

C9H9F2NOS — CID 4963031

IUPACN-[3-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C9H9F2NOS/c1-6(13)12-7-3-2-4-8(5-7)14-9(10)11/h2-5,9H,1H3,(H,12,13)
InChIKeyKBCXUEJCIUUSJV-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.96
Rot. Bonds3

About N-[3-(difluoromethylsulfanyl)phenyl]acetamide

N-[3-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 4963031) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is N-[3-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID4963031
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC NameN-[3-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C9H9F2NOS/c1-6(13)12-7-3-2-4-8(5-7)14-9(10)11/h2-5,9H,1H3,(H,12,13)
InChIKeyKBCXUEJCIUUSJV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
CID 119315980
N-[3-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119770513
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea
CID 75371994
N-[3-(carbamoylamino)sulfanylphenyl]acetamide
CID 174313236
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]acetamide (CID 4963031) is N-[3-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-(difluoromethylsulfanyl)phenyl]acetamide is CC(=O)Nc1cccc(SC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is KBCXUEJCIUUSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c1-6(13)12-7-3-2-4-8(5-7)14-9(10)11/h2-5,9H,1H3,(H,12,13).
What are the key properties of N-[3-(difluoromethylsulfanyl)phenyl]acetamide?
N-[3-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 217.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 4963031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).