6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid

C13H19NO3S — CID 43170039

IUPAC6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
SMILESCCc1ccc(C(=O)NCCCCCC(=O)O)s1
InChIInChI=1S/C13H19NO3S/c1-2-10-7-8-11(18-10)13(17)14-9-5-3-4-6-12(15)16/h7-8H,2-6,9H2,1H3,(H,14,17)(H,15,16)
InChIKeyUVRGSAQYCVGULG-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.69
Rot. Bonds8

About 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid

6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid (PubChem CID 43170039) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
PubChem CID43170039
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
SMILESCCc1ccc(C(=O)NCCCCCC(=O)O)s1
InChIInChI=1S/C13H19NO3S/c1-2-10-7-8-11(18-10)13(17)14-9-5-3-4-6-12(15)16/h7-8H,2-6,9H2,1H3,(H,14,17)(H,15,16)
InChIKeyUVRGSAQYCVGULG-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.69
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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Related Compounds

methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
4-[(5-ethylthiophene-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001322
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
6-[[2-(5-methylthiophen-2-yl)acetyl]amino]hexanoic acid
CID 119220034
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid (CID 43170039) is 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid is CCc1ccc(C(=O)NCCCCCC(=O)O)s1.
What is the InChIKey of 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
The InChIKey is UVRGSAQYCVGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-10-7-8-11(18-10)13(17)14-9-5-3-4-6-12(15)16/h7-8H,2-6,9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43170039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).