N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

C21H28N4O2S — CID 30863359

IUPACN'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H28N4O2S/c1-3-18-16(2)13-19(28-18)21(27)23-22-20(26)15-25-11-9-24(10-12-25)14-17-7-5-4-6-8-17/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKNWDDBIFRJFGRS-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.20
Rot. Bonds6

About N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 30863359) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID30863359
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H28N4O2S/c1-3-18-16(2)13-19(28-18)21(27)23-22-20(26)15-25-11-9-24(10-12-25)14-17-7-5-4-6-8-17/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKNWDDBIFRJFGRS-UHFFFAOYSA-N
XLogP2.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55959793
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CID 9418515
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418304
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 46656583
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 47093609
N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 35410868
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 30863359) is N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1C.
What is the InChIKey of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is KNWDDBIFRJFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-3-18-16(2)13-19(28-18)21(27)23-22-20(26)15-25-11-9-24(10-12-25)14-17-7-5-4-6-8-17/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 400.55 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 30863359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).