N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide

C15H14FN3O4S — CID 9476583

IUPACN-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C15H14FN3O4S/c16-10-3-5-11(6-4-10)17-13(20)8-24-9-14(21)18-19-15(22)12-2-1-7-23-12/h1-7H,8-9H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyAIVWRYKQULGKRW-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.55
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 9476583) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID9476583
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC NameN-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C15H14FN3O4S/c16-10-3-5-11(6-4-10)17-13(20)8-24-9-14(21)18-19-15(22)12-2-1-7-23-12/h1-7H,8-9H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyAIVWRYKQULGKRW-UHFFFAOYSA-N
XLogP1.55
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 40727991
N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 78812700
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium
CID 8007604
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785337
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 38639105
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]phenyl]furan-2-carboxamide
CID 9078264

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 9476583) is N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccco1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is AIVWRYKQULGKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c16-10-3-5-11(6-4-10)17-13(20)8-24-9-14(21)18-19-15(22)12-2-1-7-23-12/h1-7H,8-9H2,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 351.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9476583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).