7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid

C15H23NO3S — CID 43092885

IUPAC7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
SMILESCCc1cc(C(=O)NCCCCCCC(=O)O)sc1C
InChIInChI=1S/C15H23NO3S/c1-3-12-10-13(20-11(12)2)15(19)16-9-7-5-4-6-8-14(17)18/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIJCDZCBZYRUGSN-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.38
Rot. Bonds9

About 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid

7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid (PubChem CID 43092885) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
PubChem CID43092885
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
SMILESCCc1cc(C(=O)NCCCCCCC(=O)O)sc1C
InChIInChI=1S/C15H23NO3S/c1-3-12-10-13(20-11(12)2)15(19)16-9-7-5-4-6-8-14(17)18/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIJCDZCBZYRUGSN-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

6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
CID 43238441
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
6-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]hexanoic acid
CID 119352190
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
CID 37315774
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
6-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]hexanoic acid
CID 120522496
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367795
2-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pentanoic acid
CID 104682696
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid (CID 43092885) is 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid is CCc1cc(C(=O)NCCCCCCC(=O)O)sc1C.
What is the InChIKey of 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid?
The InChIKey is IJCDZCBZYRUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-12-10-13(20-11(12)2)15(19)16-9-7-5-4-6-8-14(17)18/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid?
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic 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 7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 43092885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).