3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

C16H18N4O6S — CID 6901828

IUPAC3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C16H18N4O6S/c1-3-19(4-2)27(24,25)14-7-5-6-12(10-14)16(21)18-17-11-13-8-9-15(26-13)20(22)23/h5-11H,3-4H2,1-2H3,(H,18,21)/b17-11+
InChIKeyMITLKFARRWZEJI-GZTJUZNOSA-N
MW394.41 g/mol
LogP1.98
Rot. Bonds8

About 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 6901828) has the molecular formula C16H18N4O6S and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID6901828
Molecular FormulaC16H18N4O6S
Molecular Weight394.41 g/mol
Exact Mass394.09
IUPAC Name3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C16H18N4O6S/c1-3-19(4-2)27(24,25)14-7-5-6-12(10-14)16(21)18-17-11-13-8-9-15(26-13)20(22)23/h5-11H,3-4H2,1-2H3,(H,18,21)/b17-11+
InChIKeyMITLKFARRWZEJI-GZTJUZNOSA-N
XLogP1.98
TPSA135.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N'-[(Z)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237401
N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide
CID 5331853
4-{5-[(4-Nitro-benzoyl)-hydrazonomethyl]-furan-2-yl}-benzenesulfonamide
CID 6889259
N-(tert-butyl)-3-{(2E)-1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-2-[(5-nitro-2-furyl)methylene]hydrazino}propanamide
CID 9648162
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-octylbenzamide
CID 145950559
4-hexyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 145955127
4-fluoro-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide
CID 5331777
3,4-dimethyl-N'-[(Z)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237325
2,4,6-trimethyl-N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237328
3-nitro-N'-({5-nitro-2-furyl}methylene)benzohydrazide
CID 6893983
4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5332157
4-methyl-N'-[(5-nitro-2-furyl)methylene]benzenesulfonohydrazide
CID 5364312

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 6901828) is 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is MITLKFARRWZEJI-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N4O6S/c1-3-19(4-2)27(24,25)14-7-5-6-12(10-14)16(21)18-17-11-13-8-9-15(26-13)20(22)23/h5-11H,3-4H2,1-2H3,(H,18,21)/b17-11+.
What are the key properties of 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 394.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6901828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).