N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide

C13H17NOS — CID 103579001

IUPACN-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide
SMILESC#CC(CC)NC(=O)CCCc1cccs1
InChIInChI=1S/C13H17NOS/c1-3-11(4-2)14-13(15)9-5-7-12-8-6-10-16-12/h1,6,8,10-11H,4-5,7,9H2,2H3,(H,14,15)
InChIKeyUIONUCYYSHGXRE-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.60
Rot. Bonds6

About N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide

N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide (PubChem CID 103579001) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide
PubChem CID103579001
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide
SMILESC#CC(CC)NC(=O)CCCc1cccs1
InChIInChI=1S/C13H17NOS/c1-3-11(4-2)14-13(15)9-5-7-12-8-6-10-16-12/h1,6,8,10-11H,4-5,7,9H2,2H3,(H,14,15)
InChIKeyUIONUCYYSHGXRE-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
2-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119224095
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N-(1-chloro-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106354910
N-(1-bromo-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106355352
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
CID 114300037
4-amino-4-oxo-2-(4-thiophen-2-ylbutanoylamino)butanoic acid
CID 43175940

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide (CID 103579001) is N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide is C#CC(CC)NC(=O)CCCc1cccs1.
What is the InChIKey of N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide?
The InChIKey is UIONUCYYSHGXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-11(4-2)14-13(15)9-5-7-12-8-6-10-16-12/h1,6,8,10-11H,4-5,7,9H2,2H3,(H,14,15).
What are the key properties of N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide?
N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide has a molecular weight of 235.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 103579001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).