N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide

C12H15F2NOS — CID 115662280

IUPACN-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
SMILESCCSCC(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NOS/c1-3-17-7-8(2)15-12(16)9-5-4-6-10(13)11(9)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyFYZYTXCJFCETFZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.84
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide

N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide (PubChem CID 115662280) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
PubChem CID115662280
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
SMILESCCSCC(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NOS/c1-3-17-7-8(2)15-12(16)9-5-4-6-10(13)11(9)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyFYZYTXCJFCETFZ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
3-chloro-2-(1-ethylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722525
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide (CID 115662280) is N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide is CCSCC(C)NC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide?
The InChIKey is FYZYTXCJFCETFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-3-17-7-8(2)15-12(16)9-5-4-6-10(13)11(9)14/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide?
N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide has a molecular weight of 259.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 115662280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).