N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide

C12H9N3O4S — CID 3108599

IUPACN'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C12H9N3O4S/c16-11(8-4-1-2-5-9(8)15(18)19)13-14-12(17)10-6-3-7-20-10/h1-7H,(H,13,16)(H,14,17)
InChIKeyVXKRSHNDLYNUTD-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.73
Rot. Bonds3

About N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide

N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide (PubChem CID 3108599) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
PubChem CID3108599
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC NameN'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C12H9N3O4S/c16-11(8-4-1-2-5-9(8)15(18)19)13-14-12(17)10-6-3-7-20-10/h1-7H,(H,13,16)(H,14,17)
InChIKeyVXKRSHNDLYNUTD-UHFFFAOYSA-N
XLogP1.73
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4089645
[(2-nitrobenzoyl)amino]urea
CID 61061190
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
N'-(4-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3316001
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
2-nitro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 3988636
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-nitrobenzamide
CID 90500007
2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 3327759
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide (CID 3108599) is N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccs1.
What is the InChIKey of N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is VXKRSHNDLYNUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c16-11(8-4-1-2-5-9(8)15(18)19)13-14-12(17)10-6-3-7-20-10/h1-7H,(H,13,16)(H,14,17).
What are the key properties of N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 291.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 3108599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).