2-(2,4-difluorophenyl)sulfanylbutanamide

C10H11F2NOS — CID 62899928

IUPAC2-(2,4-difluorophenyl)sulfanylbutanamide
SMILESCCC(Sc1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C10H11F2NOS/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H2,13,14)
InChIKeyCCRXPHBSYSHTNQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.32
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanylbutanamide

2-(2,4-difluorophenyl)sulfanylbutanamide (PubChem CID 62899928) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanylbutanamide
PubChem CID62899928
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name2-(2,4-difluorophenyl)sulfanylbutanamide
SMILESCCC(Sc1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C10H11F2NOS/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H2,13,14)
InChIKeyCCRXPHBSYSHTNQ-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18122585
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
CID 103603359
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223
2-(2-cyano-4-fluorophenyl)sulfanylbutanoic acid
CID 105355072
3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 76883620
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
2-(2,5-difluorophenyl)sulfanylpentanoic acid
CID 83037818
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanylbutanamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanylbutanamide (CID 62899928) is 2-(2,4-difluorophenyl)sulfanylbutanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanylbutanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanylbutanamide is CCC(Sc1ccc(F)cc1F)C(N)=O.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanylbutanamide?
The InChIKey is CCRXPHBSYSHTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H2,13,14).
What are the key properties of 2-(2,4-difluorophenyl)sulfanylbutanamide?
2-(2,4-difluorophenyl)sulfanylbutanamide has a molecular weight of 231.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanylbutanamide is sourced from PubChem (CID 62899928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).