2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide

C17H16N2O3S — CID 71803258

IUPAC2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)Cc1cccs1
InChIInChI=1S/C17H16N2O3S/c18-17(21)14-7-1-2-8-15(14)22-10-4-3-9-19-16(20)12-13-6-5-11-23-13/h1-2,5-8,11H,9-10,12H2,(H2,18,21)(H,19,20)
InChIKeyVYCHAJHIGGKMOQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.59
Rot. Bonds6

About 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide

2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide (PubChem CID 71803258) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide.

Molecular Properties

Compound Name2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
PubChem CID71803258
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)Cc1cccs1
InChIInChI=1S/C17H16N2O3S/c18-17(21)14-7-1-2-8-15(14)22-10-4-3-9-19-16(20)12-13-6-5-11-23-13/h1-2,5-8,11H,9-10,12H2,(H2,18,21)(H,19,20)
InChIKeyVYCHAJHIGGKMOQ-UHFFFAOYSA-N
XLogP1.59
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]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

2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
2-[4-[(2-methylsulfanylbenzoyl)amino]but-2-ynoxy]benzamide
CID 90580532
ethyl 2-[4-(2-carbamoylphenoxy)but-2-ynylamino]-2-oxoacetate
CID 90580446
2-[4-[(2-pyrazol-1-ylacetyl)amino]but-2-ynoxy]benzamide
CID 90580568
2-but-2-ynoxybenzamide
CID 177469094
2-(4-aminobut-2-ynoxy)benzamide
CID 126851898
2-[4-(benzylcarbamoylamino)but-2-ynoxy]benzamide
CID 71803302
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480
2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
CID 90580499
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyltriazole-4-carboxamide
CID 71803293
2-[4-[(4-methylphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580583

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide?
The IUPAC name of 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide (CID 71803258) is 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide.
What is the SMILES notation for 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide?
The canonical SMILES for 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide is NC(=O)c1ccccc1OCC#CCNC(=O)Cc1cccs1.
What is the InChIKey of 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide?
The InChIKey is VYCHAJHIGGKMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c18-17(21)14-7-1-2-8-15(14)22-10-4-3-9-19-16(20)12-13-6-5-11-23-13/h1-2,5-8,11H,9-10,12H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide?
2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide has a molecular weight of 328.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide is sourced from PubChem (CID 71803258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).