N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide

C15H17FN2O2S — CID 28979241

IUPACN-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
SMILESNc1ccc(F)c(NC(=O)CCCSCc2ccco2)c1
InChIInChI=1S/C15H17FN2O2S/c16-13-6-5-11(17)9-14(13)18-15(19)4-2-8-21-10-12-3-1-7-20-12/h1,3,5-7,9H,2,4,8,10,17H2,(H,18,19)
InChIKeyMENZSHNAHIFUOS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.65
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide

N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide (PubChem CID 28979241) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
PubChem CID28979241
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
SMILESNc1ccc(F)c(NC(=O)CCCSCc2ccco2)c1
InChIInChI=1S/C15H17FN2O2S/c16-13-6-5-11(17)9-14(13)18-15(19)4-2-8-21-10-12-3-1-7-20-12/h1,3,5-7,9H,2,4,8,10,17H2,(H,18,19)
InChIKeyMENZSHNAHIFUOS-UHFFFAOYSA-N
XLogP3.65
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-amino-2-methylphenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979227
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(5-amino-2-fluorophenyl)-4-tert-butylsulfinylbutanamide
CID 61304221
N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286836
2-amino-2-ethyl-5-(furan-2-ylmethylsulfanyl)pentanoic acid
CID 106807228

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide (CID 28979241) is N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide is Nc1ccc(F)c(NC(=O)CCCSCc2ccco2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide?
The InChIKey is MENZSHNAHIFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-13-6-5-11(17)9-14(13)18-15(19)4-2-8-21-10-12-3-1-7-20-12/h1,3,5-7,9H,2,4,8,10,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide?
N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide has a molecular weight of 308.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide is sourced from PubChem (CID 28979241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).