N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide

C14H21FN2OS — CID 28982231

IUPACN-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
SMILESCC(C)CSCCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2OS/c1-10(2)9-19-7-3-4-14(18)17-13-6-5-11(15)8-12(13)16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyXVGWJNQTHRJBOJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.52
Rot. Bonds7

About N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide

N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide (PubChem CID 28982231) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
PubChem CID28982231
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
SMILESCC(C)CSCCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2OS/c1-10(2)9-19-7-3-4-14(18)17-13-6-5-11(15)8-12(13)16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyXVGWJNQTHRJBOJ-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
CID 107753823
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide
CID 45255722

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide (CID 28982231) is N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide is CC(C)CSCCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide?
The InChIKey is XVGWJNQTHRJBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-10(2)9-19-7-3-4-14(18)17-13-6-5-11(15)8-12(13)16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide has a molecular weight of 284.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide is sourced from PubChem (CID 28982231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).