3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide

C14H19F2NO2S — CID 79253214

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
SMILESCC(C)C(CO)NC(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-9(2)13(8-18)17-14(19)5-6-20-10-3-4-11(15)12(16)7-10/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyIXWSDLYJMOZXSJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.58
Rot. Bonds7

About 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide

3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide (PubChem CID 79253214) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
PubChem CID79253214
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
SMILESCC(C)C(CO)NC(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-9(2)13(8-18)17-14(19)5-6-20-10-3-4-11(15)12(16)7-10/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyIXWSDLYJMOZXSJ-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
CID 79252540
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-4-hydroxybutanoic acid
CID 61244211
(2R)-2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]pentanoic acid
CID 107563664
3-(3,4-difluorophenyl)sulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725841
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011227
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 43091873
4-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80537049
N-cyano-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 79195397
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide (CID 79253214) is 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide is CC(C)C(CO)NC(=O)CCSc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide?
The InChIKey is IXWSDLYJMOZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9(2)13(8-18)17-14(19)5-6-20-10-3-4-11(15)12(16)7-10/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide?
3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 79253214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).