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

C21H27N3O4S — CID 9418410

IUPAC4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)c(CC)s2)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-6-11-28-16-9-7-15(8-10-16)20(26)22-13-19(25)23-24-21(27)18-12-14(3)17(5-2)29-18/h7-10,12H,4-6,11,13H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyHZSDKKGLCCYAOJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.99
Rot. Bonds9

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

4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 9418410) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID9418410
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)c(CC)s2)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-6-11-28-16-9-7-15(8-10-16)20(26)22-13-19(25)23-24-21(27)18-12-14(3)17(5-2)29-18/h7-10,12H,4-6,11,13H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyHZSDKKGLCCYAOJ-UHFFFAOYSA-N
XLogP2.99
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 55527934
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 9418410) is 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)c(CC)s2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is HZSDKKGLCCYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-6-11-28-16-9-7-15(8-10-16)20(26)22-13-19(25)23-24-21(27)18-12-14(3)17(5-2)29-18/h7-10,12H,4-6,11,13H2,1-3H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9418410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).