N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide

C12H17FN2O2S — CID 43382522

IUPACN-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
SMILESCOCCSC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O2S/c1-8(18-6-5-17-2)12(16)15-11-7-9(14)3-4-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDNHAQBHNOQNINQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.11
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide

N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide (PubChem CID 43382522) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
PubChem CID43382522
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
SMILESCOCCSC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O2S/c1-8(18-6-5-17-2)12(16)15-11-7-9(14)3-4-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDNHAQBHNOQNINQ-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
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N-(5-amino-2-fluorophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
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N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide (CID 43382522) is N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide is COCCSC(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide?
The InChIKey is DNHAQBHNOQNINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-8(18-6-5-17-2)12(16)15-11-7-9(14)3-4-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide has a molecular weight of 272.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide is sourced from PubChem (CID 43382522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).