2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide

C16H11N3O3S2 — CID 3629107

IUPAC2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccs2)s1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O3S2/c20-16(12-4-1-2-5-13(12)19(21)22)18-17-10-11-7-8-15(24-11)14-6-3-9-23-14/h1-10H,(H,18,20)
InChIKeyZFAXGDQDQJYJIW-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.15
Rot. Bonds5

About 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide

2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 3629107) has the molecular formula C16H11N3O3S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
PubChem CID3629107
Molecular FormulaC16H11N3O3S2
Molecular Weight357.42 g/mol
Exact Mass357.02
IUPAC Name2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccs2)s1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O3S2/c20-16(12-4-1-2-5-13(12)19(21)22)18-17-10-11-7-8-15(24-11)14-6-3-9-23-14/h1-10H,(H,18,20)
InChIKeyZFAXGDQDQJYJIW-UHFFFAOYSA-N
XLogP4.15
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.15
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-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
CID 40573089
2-bromo-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6013567
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
1-phenyl-3-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]thiourea
CID 46217219
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-nitrobenzamide
CID 1367855
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
4-chloro-3-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5416771

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide (CID 3629107) is 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2cccs2)s1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is ZFAXGDQDQJYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S2/c20-16(12-4-1-2-5-13(12)19(21)22)18-17-10-11-7-8-15(24-11)14-6-3-9-23-14/h1-10H,(H,18,20).
What are the key properties of 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 357.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 3629107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).