6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid

C15H23NO3S — CID 43238441

IUPAC6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
SMILESCCCc1cc(C(=O)NCCCCCC(=O)O)sc1C
InChIInChI=1S/C15H23NO3S/c1-3-7-12-10-13(20-11(12)2)15(19)16-9-6-4-5-8-14(17)18/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHCNLKQAILQLNJW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.38
Rot. Bonds9

About 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid

6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid (PubChem CID 43238441) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
PubChem CID43238441
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
SMILESCCCc1cc(C(=O)NCCCCCC(=O)O)sc1C
InChIInChI=1S/C15H23NO3S/c1-3-7-12-10-13(20-11(12)2)15(19)16-9-6-4-5-8-14(17)18/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHCNLKQAILQLNJW-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.38
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

7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
2-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pentanoic acid
CID 104682696
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
6-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]hexanoic acid
CID 119352190
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
6-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]hexanoic acid
CID 120522496
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 62031929

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid (CID 43238441) is 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid is CCCc1cc(C(=O)NCCCCCC(=O)O)sc1C.
What is the InChIKey of 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid?
The InChIKey is HCNLKQAILQLNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-7-12-10-13(20-11(12)2)15(19)16-9-6-4-5-8-14(17)18/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid?
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid has a molecular weight of 297.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43238441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).