2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

C13H17F2NO3S — CID 103850779

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-19-7-10(4-5-17)16-13(18)8-20-12-3-2-9(14)6-11(12)15/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyZLRHSTQOECNHIU-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.57
Rot. Bonds8

About 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (PubChem CID 103850779) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
PubChem CID103850779
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-19-7-10(4-5-17)16-13(18)8-20-12-3-2-9(14)6-11(12)15/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyZLRHSTQOECNHIU-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107821920
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799287
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
CID 115767175
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
(2R)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 103926709
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 107511222
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (CID 103850779) is 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is COCC(CCO)NC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The InChIKey is ZLRHSTQOECNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-19-7-10(4-5-17)16-13(18)8-20-12-3-2-9(14)6-11(12)15/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 103850779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).