N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide

C23H20N2O2S — CID 174251114

IUPACN-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
SMILESC#CC(=O)N(c1ccccc1)C(C(=O)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C23H20N2O2S/c1-2-21(26)25(19-12-7-4-8-13-19)22(20-14-9-17-28-20)23(27)24-16-15-18-10-5-3-6-11-18/h1,3-14,17,22H,15-16H2,(H,24,27)
InChIKeyFIHVCIIKHMYZAI-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.81
Rot. Bonds7

About N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide

N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide (PubChem CID 174251114) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
PubChem CID174251114
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
SMILESC#CC(=O)N(c1ccccc1)C(C(=O)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C23H20N2O2S/c1-2-21(26)25(19-12-7-4-8-13-19)22(20-14-9-17-28-20)23(27)24-16-15-18-10-5-3-6-11-18/h1,3-14,17,22H,15-16H2,(H,24,27)
InChIKeyFIHVCIIKHMYZAI-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide?
The IUPAC name of N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide (CID 174251114) is N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide is C#CC(=O)N(c1ccccc1)C(C(=O)NCCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide?
The InChIKey is FIHVCIIKHMYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-21(26)25(19-12-7-4-8-13-19)22(20-14-9-17-28-20)23(27)24-16-15-18-10-5-3-6-11-18/h1,3-14,17,22H,15-16H2,(H,24,27).
What are the key properties of N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide?
N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide has a molecular weight of 388.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide is sourced from PubChem (CID 174251114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).