2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide

C14H24N2OS — CID 43367229

IUPAC2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCCCCCCc1cc(C(=O)NC(C)C)c(N)s1
InChIInChI=1S/C14H24N2OS/c1-4-5-6-7-8-11-9-12(13(15)18-11)14(17)16-10(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyAWJXDGKLOYLFKX-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.59
Rot. Bonds7

About 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide

2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 43367229) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide
PubChem CID43367229
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCCCCCCc1cc(C(=O)NC(C)C)c(N)s1
InChIInChI=1S/C14H24N2OS/c1-4-5-6-7-8-11-9-12(13(15)18-11)14(17)16-10(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyAWJXDGKLOYLFKX-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide (CID 43367229) is 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide is CCCCCCc1cc(C(=O)NC(C)C)c(N)s1.
What is the InChIKey of 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is AWJXDGKLOYLFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-5-6-7-8-11-9-12(13(15)18-11)14(17)16-10(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide?
2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 43367229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).