4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide

C23H32N2O3S — CID 25162016

IUPAC4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2O3S/c1-5-25(17-21(26)24-16-20-8-7-15-29-20)22(27)9-6-14-28-19-12-10-18(11-13-19)23(2,3)4/h7-8,10-13,15H,5-6,9,14,16-17H2,1-4H3,(H,24,26)
InChIKeyBXXCQMHCPMBLSY-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.37
Rot. Bonds10

About 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide

4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide (PubChem CID 25162016) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
PubChem CID25162016
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2O3S/c1-5-25(17-21(26)24-16-20-8-7-15-29-20)22(27)9-6-14-28-19-12-10-18(11-13-19)23(2,3)4/h7-8,10-13,15H,5-6,9,14,16-17H2,1-4H3,(H,24,26)
InChIKeyBXXCQMHCPMBLSY-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide 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-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
4-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 8960886
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
2-[ethyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 9014733
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide
CID 9479298
2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960885
2-[ethyl-[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide (CID 25162016) is 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide is CCN(CC(=O)NCc1cccs1)C(=O)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
The InChIKey is BXXCQMHCPMBLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-5-25(17-21(26)24-16-20-8-7-15-29-20)22(27)9-6-14-28-19-12-10-18(11-13-19)23(2,3)4/h7-8,10-13,15H,5-6,9,14,16-17H2,1-4H3,(H,24,26).
What are the key properties of 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide has a molecular weight of 416.59 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide is sourced from PubChem (CID 25162016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).