N-undecylthiophene-2-carboxamide

C16H27NOS — CID 3584142

IUPACN-undecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C16H27NOS/c1-2-3-4-5-6-7-8-9-10-13-17-16(18)15-12-11-14-19-15/h11-12,14H,2-10,13H2,1H3,(H,17,18)
InChIKeyRRWNAJZWASDDDK-UHFFFAOYSA-N
MW281.46 g/mol
LogP5.01
Rot. Bonds11

About N-undecylthiophene-2-carboxamide

N-undecylthiophene-2-carboxamide (PubChem CID 3584142) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-undecylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-undecylthiophene-2-carboxamide
PubChem CID3584142
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-undecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C16H27NOS/c1-2-3-4-5-6-7-8-9-10-13-17-16(18)15-12-11-14-19-15/h11-12,14H,2-10,13H2,1H3,(H,17,18)
InChIKeyRRWNAJZWASDDDK-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.01
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-undecylthiophene-2-carboxamide?
The IUPAC name of N-undecylthiophene-2-carboxamide (CID 3584142) is N-undecylthiophene-2-carboxamide.
What is the SMILES notation for N-undecylthiophene-2-carboxamide?
The canonical SMILES for N-undecylthiophene-2-carboxamide is CCCCCCCCCCCNC(=O)c1cccs1.
What is the InChIKey of N-undecylthiophene-2-carboxamide?
The InChIKey is RRWNAJZWASDDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-2-3-4-5-6-7-8-9-10-13-17-16(18)15-12-11-14-19-15/h11-12,14H,2-10,13H2,1H3,(H,17,18).
What are the key properties of N-undecylthiophene-2-carboxamide?
N-undecylthiophene-2-carboxamide has a molecular weight of 281.46 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecylthiophene-2-carboxamide is sourced from PubChem (CID 3584142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).