N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide

C13H18N2OS — CID 63284935

IUPACN-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
SMILESN#CCCCCNC(=O)CCCc1cccs1
InChIInChI=1S/C13H18N2OS/c14-9-2-1-3-10-15-13(16)8-4-6-12-7-5-11-17-12/h5,7,11H,1-4,6,8,10H2,(H,15,16)
InChIKeyFWLGAEBXVOUJJD-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.88
Rot. Bonds8

About N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide

N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide (PubChem CID 63284935) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
PubChem CID63284935
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
SMILESN#CCCCCNC(=O)CCCc1cccs1
InChIInChI=1S/C13H18N2OS/c14-9-2-1-3-10-15-13(16)8-4-6-12-7-5-11-17-12/h5,7,11H,1-4,6,8,10H2,(H,15,16)
InChIKeyFWLGAEBXVOUJJD-UHFFFAOYSA-N
XLogP2.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
(2S)-2-hydroxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 107832922
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616
N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide
CID 84597060

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide (CID 63284935) is N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide is N#CCCCCNC(=O)CCCc1cccs1.
What is the InChIKey of N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide?
The InChIKey is FWLGAEBXVOUJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-9-2-1-3-10-15-13(16)8-4-6-12-7-5-11-17-12/h5,7,11H,1-4,6,8,10H2,(H,15,16).
What are the key properties of N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide?
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide has a molecular weight of 250.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 63284935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).