2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide

C14H12Cl2N2O3S — CID 26767393

IUPAC2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-2-21-9-5-3-8(4-6-9)13(19)17-18-14(20)10-7-11(15)22-12(10)16/h3-7H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyBYSCROFCDLYLPS-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.53
Rot. Bonds4

About 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide

2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide (PubChem CID 26767393) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
PubChem CID26767393
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-2-21-9-5-3-8(4-6-9)13(19)17-18-14(20)10-7-11(15)22-12(10)16/h3-7H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyBYSCROFCDLYLPS-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.53
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

5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
CID 35768961
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
CID 27163290
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
CID 3143002

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide?
The IUPAC name of 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide (CID 26767393) is 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide?
The canonical SMILES for 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide?
The InChIKey is BYSCROFCDLYLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-2-21-9-5-3-8(4-6-9)13(19)17-18-14(20)10-7-11(15)22-12(10)16/h3-7H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide?
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide has a molecular weight of 359.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 26767393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).