2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C17H17Cl2N3O3S — CID 24553410

IUPAC2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H17Cl2N3O3S/c1-3-13-9(2)6-14(26-13)17(25)22-21-15(23)8-20-16(24)11-5-4-10(18)7-12(11)19/h4-7H,3,8H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyIAEIEGKSNMPSAR-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.12
Rot. Bonds5

About 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 24553410) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID24553410
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H17Cl2N3O3S/c1-3-13-9(2)6-14(26-13)17(25)22-21-15(23)8-20-16(24)11-5-4-10(18)7-12(11)19/h4-7H,3,8H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyIAEIEGKSNMPSAR-UHFFFAOYSA-N
XLogP3.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.12
H-Bond Donors ≤ 53
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]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 35410868
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9418407
N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091403
N'-(4-chloro-2-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418431
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9418410
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 36706576
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972763

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 24553410) is 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is CCc1sc(C(=O)NNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is IAEIEGKSNMPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-3-13-9(2)6-14(26-13)17(25)22-21-15(23)8-20-16(24)11-5-4-10(18)7-12(11)19/h4-7H,3,8H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 414.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24553410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).