N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide

C20H19N3OS — CID 37219725

IUPACN-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2cccc(C#Cc3cccs3)c2)CCCC1
InChIInChI=1S/C20H19N3OS/c21-15-20(10-1-2-11-20)23-19(24)14-22-17-6-3-5-16(13-17)8-9-18-7-4-12-25-18/h3-7,12-13,22H,1-2,10-11,14H2,(H,23,24)
InChIKeyKHUGZIDZIZAGMX-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.51
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide

N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide (PubChem CID 37219725) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide
PubChem CID37219725
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2cccc(C#Cc3cccs3)c2)CCCC1
InChIInChI=1S/C20H19N3OS/c21-15-20(10-1-2-11-20)23-19(24)14-22-17-6-3-5-16(13-17)8-9-18-7-4-12-25-18/h3-7,12-13,22H,1-2,10-11,14H2,(H,23,24)
InChIKeyKHUGZIDZIZAGMX-UHFFFAOYSA-N
XLogP3.51
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30395696
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686
2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
CID 30769927
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide (CID 37219725) is N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide is N#CC1(NC(=O)CNc2cccc(C#Cc3cccs3)c2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide?
The InChIKey is KHUGZIDZIZAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c21-15-20(10-1-2-11-20)23-19(24)14-22-17-6-3-5-16(13-17)8-9-18-7-4-12-25-18/h3-7,12-13,22H,1-2,10-11,14H2,(H,23,24).
What are the key properties of N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide?
N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide is sourced from PubChem (CID 37219725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).