2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide

C13H18FNO3S — CID 79683314

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CSCC(O)CO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-2-15(11-5-3-10(14)4-6-11)13(18)9-19-8-12(17)7-16/h3-6,12,16-17H,2,7-9H2,1H3
InChIKeyBGXVZZNAMZHFBB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.26
Rot. Bonds7

About 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 79683314) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID79683314
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CSCC(O)CO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-2-15(11-5-3-10(14)4-6-11)13(18)9-19-8-12(17)7-16/h3-6,12,16-17H,2,7-9H2,1H3
InChIKeyBGXVZZNAMZHFBB-UHFFFAOYSA-N
XLogP1.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392511
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43092515
N-ethyl-N-(4-fluorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66137274
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138051
2-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353735
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 86906521
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55380115
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide (CID 79683314) is 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)CSCC(O)CO)c1ccc(F)cc1.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is BGXVZZNAMZHFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-2-15(11-5-3-10(14)4-6-11)13(18)9-19-8-12(17)7-16/h3-6,12,16-17H,2,7-9H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 79683314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).