N-pent-4-ynyl-4-thiophen-2-ylbutanamide

C13H17NOS — CID 103708912

IUPACN-pent-4-ynyl-4-thiophen-2-ylbutanamide
SMILESC#CCCCNC(=O)CCCc1cccs1
InChIInChI=1S/C13H17NOS/c1-2-3-4-10-14-13(15)9-5-7-12-8-6-11-16-12/h1,6,8,11H,3-5,7,9-10H2,(H,14,15)
InChIKeySCDOGZFOFFODQC-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.60
Rot. Bonds7

About N-pent-4-ynyl-4-thiophen-2-ylbutanamide

N-pent-4-ynyl-4-thiophen-2-ylbutanamide (PubChem CID 103708912) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-pent-4-ynyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-pent-4-ynyl-4-thiophen-2-ylbutanamide
PubChem CID103708912
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-pent-4-ynyl-4-thiophen-2-ylbutanamide
SMILESC#CCCCNC(=O)CCCc1cccs1
InChIInChI=1S/C13H17NOS/c1-2-3-4-10-14-13(15)9-5-7-12-8-6-11-16-12/h1,6,8,11H,3-5,7,9-10H2,(H,14,15)
InChIKeySCDOGZFOFFODQC-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-pent-4-ynyl-4-thiophen-2-ylbutanamide (CID 103708912) is N-pent-4-ynyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-pent-4-ynyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-pent-4-ynyl-4-thiophen-2-ylbutanamide is C#CCCCNC(=O)CCCc1cccs1.
What is the InChIKey of N-pent-4-ynyl-4-thiophen-2-ylbutanamide?
The InChIKey is SCDOGZFOFFODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-2-3-4-10-14-13(15)9-5-7-12-8-6-11-16-12/h1,6,8,11H,3-5,7,9-10H2,(H,14,15).
What are the key properties of N-pent-4-ynyl-4-thiophen-2-ylbutanamide?
N-pent-4-ynyl-4-thiophen-2-ylbutanamide has a molecular weight of 235.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 103708912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).