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

C19H15N3O4S — CID 3615840

IUPAC2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1ccc(Sc2ccccc2)o1
InChIInChI=1S/C19H15N3O4S/c23-18(12-14-6-4-5-9-17(14)22(24)25)21-20-13-15-10-11-19(26-15)27-16-7-2-1-3-8-16/h1-11,13H,12H2,(H,21,23)
InChIKeyJVDFHHFZORRODV-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.03
Rot. Bonds7

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

2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide (PubChem CID 3615840) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
PubChem CID3615840
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1ccc(Sc2ccccc2)o1
InChIInChI=1S/C19H15N3O4S/c23-18(12-14-6-4-5-9-17(14)22(24)25)21-20-13-15-10-11-19(26-15)27-16-7-2-1-3-8-16/h1-11,13H,12H2,(H,21,23)
InChIKeyJVDFHHFZORRODV-UHFFFAOYSA-N
XLogP4.03
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 124551697
3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126096053
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3663531
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 51660057
methyl 4-methyl-3-[5-[(E)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 124551019
1-benzyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 1209462
1-benzyl-3-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 6875381

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide (CID 3615840) is 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1ccc(Sc2ccccc2)o1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is JVDFHHFZORRODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-18(12-14-6-4-5-9-17(14)22(24)25)21-20-13-15-10-11-19(26-15)27-16-7-2-1-3-8-16/h1-11,13H,12H2,(H,21,23).
What are the key properties of 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide?
2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 381.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 3615840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).