5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide

C13H10BrN3O5S — CID 31728771

IUPAC5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O5S/c1-22-9-3-2-7(6-8(9)17(20)21)12(18)15-16-13(19)10-4-5-11(14)23-10/h2-6H,1H3,(H,15,18)(H,16,19)
InChIKeyGEZDCOKRQCCMGT-UHFFFAOYSA-N
MW400.21 g/mol
LogP2.50
Rot. Bonds4

About 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide

5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide (PubChem CID 31728771) has the molecular formula C13H10BrN3O5S and a molecular weight of 400.21 g/mol. Its IUPAC name is 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
PubChem CID31728771
Molecular FormulaC13H10BrN3O5S
Molecular Weight400.21 g/mol
Exact Mass398.95
IUPAC Name5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O5S/c1-22-9-3-2-7(6-8(9)17(20)21)12(18)15-16-13(19)10-4-5-11(14)23-10/h2-6H,1H3,(H,15,18)(H,16,19)
InChIKeyGEZDCOKRQCCMGT-UHFFFAOYSA-N
XLogP2.50
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-3-nitrobenzamide
CID 60794569
5-bromo-N-[2-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821565
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
N-[3-(bromomethyl)pentan-3-yl]-4-methoxy-3-nitrobenzamide
CID 114315382
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide (CID 31728771) is 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is GEZDCOKRQCCMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O5S/c1-22-9-3-2-7(6-8(9)17(20)21)12(18)15-16-13(19)10-4-5-11(14)23-10/h2-6H,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide?
5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 400.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 31728771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).