6-[butanoyl(thiophen-2-yl)amino]hexanoic acid

C14H21NO3S — CID 57198799

IUPAC6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
SMILESCCCC(=O)N(CCCCCC(=O)O)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-2-7-12(16)15(13-8-6-11-19-13)10-5-3-4-9-14(17)18/h6,8,11H,2-5,7,9-10H2,1H3,(H,17,18)
InChIKeyGYLYIHDGJOFMTB-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.53
Rot. Bonds9

About 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid

6-[butanoyl(thiophen-2-yl)amino]hexanoic acid (PubChem CID 57198799) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
PubChem CID57198799
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
SMILESCCCC(=O)N(CCCCCC(=O)O)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-2-7-12(16)15(13-8-6-11-19-13)10-5-3-4-9-14(17)18/h6,8,11H,2-5,7,9-10H2,1H3,(H,17,18)
InChIKeyGYLYIHDGJOFMTB-UHFFFAOYSA-N
XLogP3.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexyl(thiophen-2-yl)carbamic acid
CID 174246843
propyl N-hexyl-N-thiophen-2-ylcarbamate
CID 57253671
3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058
6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
CID 82323403
3-(N-octanoylanilino)propanoic acid
CID 60831115
2-[sulfino(thiophen-2-yl)amino]octanedioic acid
CID 90908616
benzene;decanoic acid
CID 159351150
benzene;hexadecanoic acid
CID 162199490
3-(N-butanoyl-2,6-dichloroanilino)propanoic acid
CID 82320751
11-thiophen-2-yloxyundecanoic acid
CID 69270363
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
N-hexyl-N-pyridin-4-yloctanamide
CID 102480897

Frequently Asked Questions

What is the IUPAC name of 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid (CID 57198799) is 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid is CCCC(=O)N(CCCCCC(=O)O)c1cccs1.
What is the InChIKey of 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid?
The InChIKey is GYLYIHDGJOFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-7-12(16)15(13-8-6-11-19-13)10-5-3-4-9-14(17)18/h6,8,11H,2-5,7,9-10H2,1H3,(H,17,18).
What are the key properties of 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid?
6-[butanoyl(thiophen-2-yl)amino]hexanoic acid has a molecular weight of 283.39 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butanoyl(thiophen-2-yl)amino]hexanoic acid is sourced from PubChem (CID 57198799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).