N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide

C15H14N2O2S — CID 660502

IUPACN-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1Cc2ccccc2C1=O)c1cccs1
InChIInChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-7-8-17-10-11-4-1-2-5-12(11)15(17)19/h1-6,9H,7-8,10H2,(H,16,18)
InChIKeyUUHJXWBNVSFOBU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide

N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 660502) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID660502
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1Cc2ccccc2C1=O)c1cccs1
InChIInChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-7-8-17-10-11-4-1-2-5-12(11)15(17)19/h1-6,9H,7-8,10H2,(H,16,18)
InChIKeyUUHJXWBNVSFOBU-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide (CID 660502) is N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide is O=C(NCCN1Cc2ccccc2C1=O)c1cccs1.
What is the InChIKey of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is UUHJXWBNVSFOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-7-8-17-10-11-4-1-2-5-12(11)15(17)19/h1-6,9H,7-8,10H2,(H,16,18).
What are the key properties of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 660502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).