2-thiophen-3-ylpent-4-ynamide

C9H9NOS — CID 3056615

IUPAC2-thiophen-3-ylpent-4-ynamide
SMILESC#CCC(C(N)=O)c1ccsc1
InChIInChI=1S/C9H9NOS/c1-2-3-8(9(10)11)7-4-5-12-6-7/h1,4-6,8H,3H2,(H2,10,11)
InChIKeyHZCQSZUXZCEYCQ-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.34
Rot. Bonds3

About 2-thiophen-3-ylpent-4-ynamide

2-thiophen-3-ylpent-4-ynamide (PubChem CID 3056615) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-thiophen-3-ylpent-4-ynamide.

Molecular Properties

Compound Name2-thiophen-3-ylpent-4-ynamide
PubChem CID3056615
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name2-thiophen-3-ylpent-4-ynamide
SMILESC#CCC(C(N)=O)c1ccsc1
InChIInChI=1S/C9H9NOS/c1-2-3-8(9(10)11)7-4-5-12-6-7/h1,4-6,8H,3H2,(H2,10,11)
InChIKeyHZCQSZUXZCEYCQ-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pent-4-yn-2-ylthiophene
CID 83927679
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
ethyl 2-thiophen-3-ylbutanoate
CID 12577566
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
(1R)-1-thiophen-3-ylprop-2-yn-1-ol
CID 129365776
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylpropanoic acid
CID 129366888
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpent-4-ynamide?
The IUPAC name of 2-thiophen-3-ylpent-4-ynamide (CID 3056615) is 2-thiophen-3-ylpent-4-ynamide.
What is the SMILES notation for 2-thiophen-3-ylpent-4-ynamide?
The canonical SMILES for 2-thiophen-3-ylpent-4-ynamide is C#CCC(C(N)=O)c1ccsc1.
What is the InChIKey of 2-thiophen-3-ylpent-4-ynamide?
The InChIKey is HZCQSZUXZCEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-2-3-8(9(10)11)7-4-5-12-6-7/h1,4-6,8H,3H2,(H2,10,11).
What are the key properties of 2-thiophen-3-ylpent-4-ynamide?
2-thiophen-3-ylpent-4-ynamide has a molecular weight of 179.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpent-4-ynamide is sourced from PubChem (CID 3056615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).