3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide

C14H9ClN2OS — CID 1080677

IUPAC3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H9ClN2OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,(H,16,17,18)
InChIKeyVRCFEDBVJWWFKZ-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.20
Rot. Bonds2

About 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide

3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 1080677) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID1080677
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC Name3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H9ClN2OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,(H,16,17,18)
InChIKeyVRCFEDBVJWWFKZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide (CID 1080677) is 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide is O=C(Nc1ccncc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is VRCFEDBVJWWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,(H,16,17,18).
What are the key properties of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 288.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1080677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).