5-(1-benzothiophene-2-carbonylamino)pentanoic acid

C14H15NO3S — CID 62033392

IUPAC5-(1-benzothiophene-2-carbonylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H15NO3S/c16-13(17)7-3-4-8-15-14(18)12-9-10-5-1-2-6-11(10)19-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,18)(H,16,17)
InChIKeyQXAOMNPHVBKYIP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.89
Rot. Bonds6

About 5-(1-benzothiophene-2-carbonylamino)pentanoic acid

5-(1-benzothiophene-2-carbonylamino)pentanoic acid (PubChem CID 62033392) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-(1-benzothiophene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(1-benzothiophene-2-carbonylamino)pentanoic acid
PubChem CID62033392
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name5-(1-benzothiophene-2-carbonylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H15NO3S/c16-13(17)7-3-4-8-15-14(18)12-9-10-5-1-2-6-11(10)19-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,18)(H,16,17)
InChIKeyQXAOMNPHVBKYIP-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.89
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

N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
2-[[2-(1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 43388124
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
4-[2-(1-benzothiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122015446
N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
CID 87108183
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophene-2-carbonylamino)pentanoic acid?
The IUPAC name of 5-(1-benzothiophene-2-carbonylamino)pentanoic acid (CID 62033392) is 5-(1-benzothiophene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-(1-benzothiophene-2-carbonylamino)pentanoic acid?
The canonical SMILES for 5-(1-benzothiophene-2-carbonylamino)pentanoic acid is O=C(O)CCCCNC(=O)c1cc2ccccc2s1.
What is the InChIKey of 5-(1-benzothiophene-2-carbonylamino)pentanoic acid?
The InChIKey is QXAOMNPHVBKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-13(17)7-3-4-8-15-14(18)12-9-10-5-1-2-6-11(10)19-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,18)(H,16,17).
What are the key properties of 5-(1-benzothiophene-2-carbonylamino)pentanoic acid?
5-(1-benzothiophene-2-carbonylamino)pentanoic acid has a molecular weight of 277.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 62033392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).