N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide

C12H15F2NOS — CID 112779390

IUPACN-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CSCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NOS/c1-8(2)6-17-7-12(16)15-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyMDAYGWQAQFHHLL-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.29
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide

N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide (PubChem CID 112779390) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
PubChem CID112779390
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CSCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NOS/c1-8(2)6-17-7-12(16)15-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyMDAYGWQAQFHHLL-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779393
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide (CID 112779390) is N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide is CC(C)CSCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The InChIKey is MDAYGWQAQFHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8(2)6-17-7-12(16)15-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide?
N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide has a molecular weight of 259.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide is sourced from PubChem (CID 112779390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).