2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide

C19H16N2O2S — CID 126006396

IUPAC2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C19H16N2O2S/c22-18(13-15-7-3-1-4-8-15)21-20-14-16-11-12-19(23-16)24-17-9-5-2-6-10-17/h1-12,14H,13H2,(H,21,22)/b20-14-
InChIKeyXRYBRRMSXWWHJZ-ZHZULCJRSA-N
MW336.42 g/mol
LogP4.12
Rot. Bonds6

About 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide

2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide (PubChem CID 126006396) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
PubChem CID126006396
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C19H16N2O2S/c22-18(13-15-7-3-1-4-8-15)21-20-14-16-11-12-19(23-16)24-17-9-5-2-6-10-17/h1-12,14H,13H2,(H,21,22)/b20-14-
InChIKeyXRYBRRMSXWWHJZ-ZHZULCJRSA-N
XLogP4.12
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.12
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-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 3615840
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
1-benzyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 1209462
1-benzyl-3-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 6875381
sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 74084471
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5332613
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide (CID 126006396) is 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide is O=C(Cc1ccccc1)N/N=C\c1ccc(Sc2ccccc2)o1.
What is the InChIKey of 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is XRYBRRMSXWWHJZ-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(13-15-7-3-1-4-8-15)21-20-14-16-11-12-19(23-16)24-17-9-5-2-6-10-17/h1-12,14H,13H2,(H,21,22)/b20-14-.
What are the key properties of 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 336.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 126006396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).