N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide

C12H16FNOS — CID 60623990

IUPACN,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ccccc1F
InChIInChI=1S/C12H16FNOS/c1-3-14(4-2)12(15)9-16-11-8-6-5-7-10(11)13/h5-8H,3-4,9H2,1-2H3
InChIKeyWPGQGIKAUMQIAS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.79
Rot. Bonds5

About N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide

N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 60623990) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID60623990
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC NameN,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ccccc1F
InChIInChI=1S/C12H16FNOS/c1-3-14(4-2)12(15)9-16-11-8-6-5-7-10(11)13/h5-8H,3-4,9H2,1-2H3
InChIKeyWPGQGIKAUMQIAS-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 61007624
N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381034
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 62822271
N-cyclopentyl-N-ethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 134060793
2-(2-amino-4,5-difluorophenyl)sulfanyl-N,N-diethylacetamide
CID 112751943
N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79381435
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
1-(2-fluorophenyl)sulfanyl-3-methylpentan-2-one
CID 79446136
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691480
N,N-diethyl-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7398414

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide (CID 60623990) is N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide is CCN(CC)C(=O)CSc1ccccc1F.
What is the InChIKey of N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is WPGQGIKAUMQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-3-14(4-2)12(15)9-16-11-8-6-5-7-10(11)13/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide?
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 241.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 60623990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).