2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide

C12H17FN2OS — CID 66228322

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCC(C)(N)CSCC(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-12(2,14)8-17-7-11(16)15-10-6-4-3-5-9(10)13/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyMUSGJJGDISTLHJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 66228322) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID66228322
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCC(C)(N)CSCC(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-12(2,14)8-17-7-11(16)15-10-6-4-3-5-9(10)13/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyMUSGJJGDISTLHJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 66221649
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 66230883
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 66229045
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 66222087
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 66230911
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 66228322) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide is CC(C)(N)CSCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is MUSGJJGDISTLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-12(2,14)8-17-7-11(16)15-10-6-4-3-5-9(10)13/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 66228322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).