2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide

C13H18FNO2S — CID 115691480

IUPAC2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
SMILESCC(O)CCN(C)C(=O)CSc1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-10(16)7-8-15(2)13(17)9-18-12-6-4-3-5-11(12)14/h3-6,10,16H,7-9H2,1-2H3
InChIKeySCZGXLVRLALFEM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide

2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide (PubChem CID 115691480) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
PubChem CID115691480
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
SMILESCC(O)CCN(C)C(=O)CSc1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-10(16)7-8-15(2)13(17)9-18-12-6-4-3-5-11(12)14/h3-6,10,16H,7-9H2,1-2H3
InChIKeySCZGXLVRLALFEM-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495
N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
CID 115691637
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
N-(3-hydroxybutyl)-2-(4-methoxyphenyl)sulfanyl-N-methylacetamide
CID 115691423
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759779
2-(2-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512642
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770
(E)-3-(2-fluorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 115691465
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide (CID 115691480) is 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide is CC(O)CCN(C)C(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide?
The InChIKey is SCZGXLVRLALFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10(16)7-8-15(2)13(17)9-18-12-6-4-3-5-11(12)14/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide?
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide is sourced from PubChem (CID 115691480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).