N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide

C16H17FN2OS — CID 61242685

IUPACN-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C16H17FN2OS/c1-10-4-3-5-13(8-10)21-11(2)16(20)19-15-9-12(18)6-7-14(15)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyBVLBVQGCZFRFBH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide

N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 61242685) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID61242685
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C16H17FN2OS/c1-10-4-3-5-13(8-10)21-11(2)16(20)19-15-9-12(18)6-7-14(15)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyBVLBVQGCZFRFBH-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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Related Compounds

N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
2-(3-aminophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)propanamide
CID 18894169
2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 18894186
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
CID 43098969
N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide
CID 63698509
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66105977

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide (CID 61242685) is N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(SC(C)C(=O)Nc2cc(N)ccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is BVLBVQGCZFRFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-4-3-5-13(8-10)21-11(2)16(20)19-15-9-12(18)6-7-14(15)17/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide?
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)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-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 61242685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).