N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide

C16H17FN2OS — CID 43109464

IUPACN-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)Sc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-10-7-8-12(18)9-14(10)19-16(20)11(2)21-15-6-4-3-5-13(15)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyZPCJFXMQSYXYHV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide

N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 43109464) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
PubChem CID43109464
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)Sc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-10-7-8-12(18)9-14(10)19-16(20)11(2)21-15-6-4-3-5-13(15)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyZPCJFXMQSYXYHV-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide (CID 43109464) is N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide is Cc1ccc(N)cc1NC(=O)C(C)Sc1ccccc1F.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is ZPCJFXMQSYXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-7-8-12(18)9-14(10)19-16(20)11(2)21-15-6-4-3-5-13(15)17/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 43109464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).