N-hexyl-4-thiophen-2-ylbutanamide

C14H23NOS — CID 134055852

IUPACN-hexyl-4-thiophen-2-ylbutanamide
SMILESCCCCCCNC(=O)CCCc1cccs1
InChIInChI=1S/C14H23NOS/c1-2-3-4-5-11-15-14(16)10-6-8-13-9-7-12-17-13/h7,9,12H,2-6,8,10-11H2,1H3,(H,15,16)
InChIKeyVDQHCOYNCRPRJT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.77
Rot. Bonds9

About N-hexyl-4-thiophen-2-ylbutanamide

N-hexyl-4-thiophen-2-ylbutanamide (PubChem CID 134055852) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-hexyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-hexyl-4-thiophen-2-ylbutanamide
PubChem CID134055852
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-hexyl-4-thiophen-2-ylbutanamide
SMILESCCCCCCNC(=O)CCCc1cccs1
InChIInChI=1S/C14H23NOS/c1-2-3-4-5-11-15-14(16)10-6-8-13-9-7-12-17-13/h7,9,12H,2-6,8,10-11H2,1H3,(H,15,16)
InChIKeyVDQHCOYNCRPRJT-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
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-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111161241
methane;2-undecylthiophene
CID 175504380

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-hexyl-4-thiophen-2-ylbutanamide (CID 134055852) is N-hexyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-hexyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-hexyl-4-thiophen-2-ylbutanamide is CCCCCCNC(=O)CCCc1cccs1.
What is the InChIKey of N-hexyl-4-thiophen-2-ylbutanamide?
The InChIKey is VDQHCOYNCRPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-3-4-5-11-15-14(16)10-6-8-13-9-7-12-17-13/h7,9,12H,2-6,8,10-11H2,1H3,(H,15,16).
What are the key properties of N-hexyl-4-thiophen-2-ylbutanamide?
N-hexyl-4-thiophen-2-ylbutanamide has a molecular weight of 253.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 134055852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).