3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide

C16H17FN2OS — CID 43302341

IUPAC3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2F)c(N)c1
InChIInChI=1S/C16H17FN2OS/c1-11-6-7-15(13(18)10-11)21-9-8-16(20)19-14-5-3-2-4-12(14)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyQIHZLRCPDVYIRZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds5

About 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide

3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide (PubChem CID 43302341) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
PubChem CID43302341
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2F)c(N)c1
InChIInChI=1S/C16H17FN2OS/c1-11-6-7-15(13(18)10-11)21-9-8-16(20)19-14-5-3-2-4-12(14)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyQIHZLRCPDVYIRZ-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide (CID 43302341) is 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide is Cc1ccc(SCCC(=O)Nc2ccccc2F)c(N)c1.
What is the InChIKey of 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The InChIKey is QIHZLRCPDVYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-6-7-15(13(18)10-11)21-9-8-16(20)19-14-5-3-2-4-12(14)17/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 43302341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).