2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide

C20H16N2O2S — CID 3730006

IUPAC2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccco1
InChIInChI=1S/C20H16N2O2S/c23-19(22-21-12-14-6-5-11-24-14)13-25-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20H,13H2,(H,22,23)
InChIKeyHCOOLGSUSOMXLL-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.23
Rot. Bonds5

About 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide

2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide (PubChem CID 3730006) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
PubChem CID3730006
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccco1
InChIInChI=1S/C20H16N2O2S/c23-19(22-21-12-14-6-5-11-24-14)13-25-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20H,13H2,(H,22,23)
InChIKeyHCOOLGSUSOMXLL-UHFFFAOYSA-N
XLogP4.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4267324
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
CID 3898418
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6870596
ethyl 4-[5-[[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3757485
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide
CID 6280531
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 687735
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6865426
N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
CID 3633291

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide (CID 3730006) is 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide is O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccco1.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide?
The InChIKey is HCOOLGSUSOMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19(22-21-12-14-6-5-11-24-14)13-25-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20H,13H2,(H,22,23).
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide?
2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide has a molecular weight of 348.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 3730006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).