N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C19H16N4O5S2 — CID 6047512

IUPACN-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N4O5S2/c1-13(14-6-10-17(11-7-14)23(25)26)20-21-19(24)15-4-8-16(9-5-15)22-30(27,28)18-3-2-12-29-18/h2-12,22H,1H3,(H,21,24)/b20-13+
InChIKeyAVQFYGYAAANFBV-DEDYPNTBSA-N
MW444.49 g/mol
LogP3.61
Rot. Bonds7

About N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6047512) has the molecular formula C19H16N4O5S2 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6047512
Molecular FormulaC19H16N4O5S2
Molecular Weight444.49 g/mol
Exact Mass444.06
IUPAC NameN-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N4O5S2/c1-13(14-6-10-17(11-7-14)23(25)26)20-21-19(24)15-4-8-16(9-5-15)22-30(27,28)18-3-2-12-29-18/h2-12,22H,1H3,(H,21,24)/b20-13+
InChIKeyAVQFYGYAAANFBV-DEDYPNTBSA-N
XLogP3.61
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 4246349
N-[(4-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2370561
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6377891
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6390874
N-[(E)-(3-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18231366
4-nitro-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 171487053
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
N-[(E)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6902842
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
[2-(4-nitroanilino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4255164

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 6047512) is N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is AVQFYGYAAANFBV-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N4O5S2/c1-13(14-6-10-17(11-7-14)23(25)26)20-21-19(24)15-4-8-16(9-5-15)22-30(27,28)18-3-2-12-29-18/h2-12,22H,1H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 444.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6047512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).