N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide

C15H15N3O5S — CID 46586432

IUPACN'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1
InChIInChI=1S/C15H15N3O5S/c1-3-23-11-6-4-10(5-7-11)14(19)16-17-15(20)13-8-12(18(21)22)9(2)24-13/h4-8H,3H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyFJBRHBMCUVPWQZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.44
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide

N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide (PubChem CID 46586432) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide
PubChem CID46586432
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1
InChIInChI=1S/C15H15N3O5S/c1-3-23-11-6-4-10(5-7-11)14(19)16-17-15(20)13-8-12(18(21)22)9(2)24-13/h4-8H,3H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyFJBRHBMCUVPWQZ-UHFFFAOYSA-N
XLogP2.44
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.44
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'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
CID 35768961
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide
CID 27619786
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
4-chloro-N'-[2-(4-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168126
N-[4-(4-fluorophenoxy)butyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 32645860
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 26774419
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide (CID 46586432) is N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide?
The InChIKey is FJBRHBMCUVPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-3-23-11-6-4-10(5-7-11)14(19)16-17-15(20)13-8-12(18(21)22)9(2)24-13/h4-8H,3H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide has a molecular weight of 349.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide is sourced from PubChem (CID 46586432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).