4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

C18H21N3O4S — CID 7979296

IUPAC4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O4S/c1-2-3-10-25-14-8-6-13(7-9-14)17(23)19-12-16(22)20-21-18(24)15-5-4-11-26-15/h4-9,11H,2-3,10,12H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyQDMYSQOSZXZTGG-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.12
Rot. Bonds8

About 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 7979296) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID7979296
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O4S/c1-2-3-10-25-14-8-6-13(7-9-14)17(23)19-12-16(22)20-21-18(24)15-5-4-11-26-15/h4-9,11H,2-3,10,12H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyQDMYSQOSZXZTGG-UHFFFAOYSA-N
XLogP2.12
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.12
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'}

Analyze 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9418410
N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide
CID 9479298
N-[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27682888
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (CID 7979296) is 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is QDMYSQOSZXZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-2-3-10-25-14-8-6-13(7-9-14)17(23)19-12-16(22)20-21-18(24)15-5-4-11-26-15/h4-9,11H,2-3,10,12H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 7979296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).