N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

C16H16Cl2N2O3S — CID 35410868

IUPACN'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-13-9(2)6-14(24-13)16(22)20-19-15(21)8-23-12-7-10(17)4-5-11(12)18/h4-7H,3,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGJDSRIQNNVYMJF-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.77
Rot. Bonds5

About N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 35410868) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID35410868
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC NameN'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-13-9(2)6-14(24-13)16(22)20-19-15(21)8-23-12-7-10(17)4-5-11(12)18/h4-7H,3,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGJDSRIQNNVYMJF-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.77
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'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972763
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418354
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
1-[[2-(2,5-dichlorophenoxy)acetyl]amino]-3-methylthiourea
CID 4502855
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 19167991
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091448
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 35410868) is N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1C.
What is the InChIKey of N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is GJDSRIQNNVYMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-3-13-9(2)6-14(24-13)16(22)20-19-15(21)8-23-12-7-10(17)4-5-11(12)18/h4-7H,3,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 387.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 35410868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).