N-heptylthiophene-2-carboxamide

C12H19NOS — CID 4198989

IUPACN-heptylthiophene-2-carboxamide
SMILESCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-3-4-5-6-9-13-12(14)11-8-7-10-15-11/h7-8,10H,2-6,9H2,1H3,(H,13,14)
InChIKeyRDEFPUMRXJGWKH-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.45
Rot. Bonds7

About N-heptylthiophene-2-carboxamide

N-heptylthiophene-2-carboxamide (PubChem CID 4198989) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-heptylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-heptylthiophene-2-carboxamide
PubChem CID4198989
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-heptylthiophene-2-carboxamide
SMILESCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-3-4-5-6-9-13-12(14)11-8-7-10-15-11/h7-8,10H,2-6,9H2,1H3,(H,13,14)
InChIKeyRDEFPUMRXJGWKH-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of N-heptylthiophene-2-carboxamide?
The IUPAC name of N-heptylthiophene-2-carboxamide (CID 4198989) is N-heptylthiophene-2-carboxamide.
What is the SMILES notation for N-heptylthiophene-2-carboxamide?
The canonical SMILES for N-heptylthiophene-2-carboxamide is CCCCCCCNC(=O)c1cccs1.
What is the InChIKey of N-heptylthiophene-2-carboxamide?
The InChIKey is RDEFPUMRXJGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-3-4-5-6-9-13-12(14)11-8-7-10-15-11/h7-8,10H,2-6,9H2,1H3,(H,13,14).
What are the key properties of N-heptylthiophene-2-carboxamide?
N-heptylthiophene-2-carboxamide has a molecular weight of 225.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylthiophene-2-carboxamide is sourced from PubChem (CID 4198989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).