(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

C12H17FN2OS — CID 119271967

IUPAC(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCSCc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-9(14)12(16)15-6-7-17-8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQBUMFSFSJFZHJV-SECBINFHSA-N
MW256.35 g/mol
LogP1.52
Rot. Bonds6

About (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 119271967) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
PubChem CID119271967
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCSCc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-9(14)12(16)15-6-7-17-8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQBUMFSFSJFZHJV-SECBINFHSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxypropanamide
CID 120983883
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666770
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
CID 132651623
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 132654566
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956122
1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454076
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
4-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxybutanamide
CID 120587259
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxybutanamide
CID 132652795
4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 78806424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide (CID 119271967) is (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide is C[C@@H](N)C(=O)NCCSCc1ccccc1F.
What is the InChIKey of (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is QBUMFSFSJFZHJV-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-9(14)12(16)15-6-7-17-8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 256.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 119271967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).