2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide

C11H15FN2OS — CID 66242283

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
SMILESCC(CN)SCC(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2OS/c1-8(6-13)16-7-11(15)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyHPAYMLWKLXLPGW-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.84
Rot. Bonds5

About 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide

2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide (PubChem CID 66242283) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
PubChem CID66242283
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
SMILESCC(CN)SCC(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2OS/c1-8(6-13)16-7-11(15)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyHPAYMLWKLXLPGW-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66220595
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66220583
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
(2R)-1-aminopropan-2-ol;(2R,3R)-4-(2-fluoroanilino)-2,3-dihydroxy-4-oxobutanoic acid
CID 52911760
N'-(2-fluorophenyl)propanediamide
CID 70002209
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-[3-(2-fluoroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354206
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide (CID 66242283) is 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide is CC(CN)SCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is HPAYMLWKLXLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-8(6-13)16-7-11(15)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 66242283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).