N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide

C16H18N2O3S — CID 35768961

IUPACN'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(C)c(C)s2)cc1
InChIInChI=1S/C16H18N2O3S/c1-4-21-13-7-5-12(6-8-13)15(19)17-18-16(20)14-9-10(2)11(3)22-14/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyQTTFICGEXAWKCE-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.84
Rot. Bonds4

About N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide

N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide (PubChem CID 35768961) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
PubChem CID35768961
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(C)c(C)s2)cc1
InChIInChI=1S/C16H18N2O3S/c1-4-21-13-7-5-12(6-8-13)15(19)17-18-16(20)14-9-10(2)11(3)22-14/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyQTTFICGEXAWKCE-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide
CID 27619786
N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide
CID 46586432
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
CID 115791309
N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 26187387
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide (CID 35768961) is N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(C)c(C)s2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide?
The InChIKey is QTTFICGEXAWKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-21-13-7-5-12(6-8-13)15(19)17-18-16(20)14-9-10(2)11(3)22-14/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide has a molecular weight of 318.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide is sourced from PubChem (CID 35768961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).