2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide

C16H17FN2OS — CID 18894352

IUPAC2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
SMILESCCC(Sc1cccc(N)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-2-15(21-12-7-5-6-11(18)10-12)16(20)19-14-9-4-3-8-13(14)17/h3-10,15H,2,18H2,1H3,(H,19,20)
InChIKeyKTOFFPDBDGGLJH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.92
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide

2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide (PubChem CID 18894352) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
PubChem CID18894352
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
SMILESCCC(Sc1cccc(N)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-2-15(21-12-7-5-6-11(18)10-12)16(20)19-14-9-4-3-8-13(14)17/h3-10,15H,2,18H2,1H3,(H,19,20)
InChIKeyKTOFFPDBDGGLJH-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide
CID 18894343
N-(2-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906014
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
N-[3-[1-(2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide
CID 18903134
2-(3-aminophenyl)sulfanyl-N-(4-iodophenyl)butanamide
CID 18894354
N-[3-[1-(2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907742
N-[3-[1-(2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903710
2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 18894310
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
CID 18894350
2-(3-aminophenyl)sulfanylbutanoic acid
CID 79133300
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 18894694
2-(3-aminophenyl)sulfanyl-N-(4-butoxyphenyl)butanamide
CID 18894361

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide (CID 18894352) is 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide is CCC(Sc1cccc(N)c1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
The InChIKey is KTOFFPDBDGGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-2-15(21-12-7-5-6-11(18)10-12)16(20)19-14-9-4-3-8-13(14)17/h3-10,15H,2,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide has a molecular weight of 304.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide is sourced from PubChem (CID 18894352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).