N-octylthiophene-2-carboxamide

C13H21NOS — CID 4219308

IUPACN-octylthiophene-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-2-3-4-5-6-7-10-14-13(15)12-9-8-11-16-12/h8-9,11H,2-7,10H2,1H3,(H,14,15)
InChIKeyZHACVTMITDAMOI-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.84
Rot. Bonds8

About N-octylthiophene-2-carboxamide

N-octylthiophene-2-carboxamide (PubChem CID 4219308) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-octylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-octylthiophene-2-carboxamide
PubChem CID4219308
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-octylthiophene-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-2-3-4-5-6-7-10-14-13(15)12-9-8-11-16-12/h8-9,11H,2-7,10H2,1H3,(H,14,15)
InChIKeyZHACVTMITDAMOI-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.84
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

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide
CID 4962027
N-cyclohexylthiophene-2-carboxamide
CID 855035
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023

Frequently Asked Questions

What is the IUPAC name of N-octylthiophene-2-carboxamide?
The IUPAC name of N-octylthiophene-2-carboxamide (CID 4219308) is N-octylthiophene-2-carboxamide.
What is the SMILES notation for N-octylthiophene-2-carboxamide?
The canonical SMILES for N-octylthiophene-2-carboxamide is CCCCCCCCNC(=O)c1cccs1.
What is the InChIKey of N-octylthiophene-2-carboxamide?
The InChIKey is ZHACVTMITDAMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-3-4-5-6-7-10-14-13(15)12-9-8-11-16-12/h8-9,11H,2-7,10H2,1H3,(H,14,15).
What are the key properties of N-octylthiophene-2-carboxamide?
N-octylthiophene-2-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylthiophene-2-carboxamide is sourced from PubChem (CID 4219308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).