N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide

C22H18N2O2S — CID 35230081

IUPACN-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C22H18N2O2S/c25-21(15-17-6-2-1-3-7-17)23-16-22(26)24-19-9-4-8-18(14-19)11-12-20-10-5-13-27-20/h1-10,13-14H,15-16H2,(H,23,25)(H,24,26)
InChIKeyRLTKDCCKDWGDOM-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.45
Rot. Bonds5

About N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide

N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide (PubChem CID 35230081) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
PubChem CID35230081
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C22H18N2O2S/c25-21(15-17-6-2-1-3-7-17)23-16-22(26)24-19-9-4-8-18(14-19)11-12-20-10-5-13-27-20/h1-10,13-14H,15-16H2,(H,23,25)(H,24,26)
InChIKeyRLTKDCCKDWGDOM-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30395696
2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
CID 30769927
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30694090
4-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 35230362
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686
4-acetamido-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594161
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
CID 55824933
N-(3-ethynylphenyl)-2-[[3-(2-phenylethynyl)phenyl]carbamoylamino]acetamide
CID 112838330
2-acetamido-3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 46536057
N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide
CID 37219725

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide (CID 35230081) is N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)Nc1cccc(C#Cc2cccs2)c1.
What is the InChIKey of N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide?
The InChIKey is RLTKDCCKDWGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-21(15-17-6-2-1-3-7-17)23-16-22(26)24-19-9-4-8-18(14-19)11-12-20-10-5-13-27-20/h1-10,13-14H,15-16H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide?
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide has a molecular weight of 374.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 35230081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).