N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide

C15H14N2O2S — CID 95289855

IUPACN-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESN#C[C@H](NC(=O)c1cc2ccccc2s1)[C@@H]1CCOC1
InChIInChI=1S/C15H14N2O2S/c16-8-12(11-5-6-19-9-11)17-15(18)14-7-10-3-1-2-4-13(10)20-14/h1-4,7,11-12H,5-6,9H2,(H,17,18)/t11-,12+/m1/s1
InChIKeyPZCHHPUHNCICQZ-NEPJUHHUSA-N
MW286.36 g/mol
LogP2.56
Rot. Bonds3

About N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide

N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 95289855) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID95289855
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESN#C[C@H](NC(=O)c1cc2ccccc2s1)[C@@H]1CCOC1
InChIInChI=1S/C15H14N2O2S/c16-8-12(11-5-6-19-9-11)17-15(18)14-7-10-3-1-2-4-13(10)20-14/h1-4,7,11-12H,5-6,9H2,(H,17,18)/t11-,12+/m1/s1
InChIKeyPZCHHPUHNCICQZ-NEPJUHHUSA-N
XLogP2.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide (CID 95289855) is N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide is N#C[C@H](NC(=O)c1cc2ccccc2s1)[C@@H]1CCOC1.
What is the InChIKey of N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PZCHHPUHNCICQZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-8-12(11-5-6-19-9-11)17-15(18)14-7-10-3-1-2-4-13(10)20-14/h1-4,7,11-12H,5-6,9H2,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide?
N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95289855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).