N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid

C17H16N2O5S — CID 17365887

IUPACN-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccs1.O=C(O)C(=O)O
InChIInChI=1S/C15H14N2OS.C2H2O4/c18-15(14-6-3-9-19-14)16-8-7-11-10-17-13-5-2-1-4-12(11)13;3-1(4)2(5)6/h1-6,9-10,17H,7-8H2,(H,16,18);(H,3,4)(H,5,6)
InChIKeyJIZHTVKBBXTQIQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid

N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid (PubChem CID 17365887) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
PubChem CID17365887
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccs1.O=C(O)C(=O)O
InChIInChI=1S/C15H14N2OS.C2H2O4/c18-15(14-6-3-9-19-14)16-8-7-11-10-17-13-5-2-1-4-12(11)13;3-1(4)2(5)6/h1-6,9-10,17H,7-8H2,(H,16,18);(H,3,4)(H,5,6)
InChIKeyJIZHTVKBBXTQIQ-UHFFFAOYSA-N
XLogP2.36
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299013
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
CID 39757148
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
CID 113013820
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117378
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110298536
N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 71701878

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid (CID 17365887) is N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid is O=C(NCCc1c[nH]c2ccccc12)c1cccs1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid?
The InChIKey is JIZHTVKBBXTQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS.C2H2O4/c18-15(14-6-3-9-19-14)16-8-7-11-10-17-13-5-2-1-4-12(11)13;3-1(4)2(5)6/h1-6,9-10,17H,7-8H2,(H,16,18);(H,3,4)(H,5,6).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid?
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid has a molecular weight of 360.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid is sourced from PubChem (CID 17365887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).