(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide

C14H12N2OS — CID 25337641

IUPAC(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C14H12N2OS/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h1-8,12H,9H2,(H,15,16,17)/t12-/m1/s1
InChIKeyCMKBLECCEKTYSX-GFCCVEGCSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds2

About (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 25337641) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID25337641
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C14H12N2OS/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h1-8,12H,9H2,(H,15,16,17)/t12-/m1/s1
InChIKeyCMKBLECCEKTYSX-GFCCVEGCSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 25337641) is (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccn1)[C@H]1Cc2ccccc2S1.
What is the InChIKey of (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is CMKBLECCEKTYSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h1-8,12H,9H2,(H,15,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25337641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).