N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide

C14H21FN2OS — CID 107748890

IUPACN-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2OS/c1-3-10(2)9-19-7-6-14(18)17-13-8-11(16)4-5-12(13)15/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyTZIMOFAZUQCRSD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.52
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide

N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide (PubChem CID 107748890) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
PubChem CID107748890
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2OS/c1-3-10(2)9-19-7-6-14(18)17-13-8-11(16)4-5-12(13)15/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyTZIMOFAZUQCRSD-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-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748913
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
CID 22974122
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286836
N-(5-amino-2-fluorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922276
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
3-(3-amino-2-methylpropyl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 66224538

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide (CID 107748890) is N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide is CCC(C)CSCCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide?
The InChIKey is TZIMOFAZUQCRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-3-10(2)9-19-7-6-14(18)17-13-8-11(16)4-5-12(13)15/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide 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-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide is sourced from PubChem (CID 107748890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).