3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide

C16H17ClN2O2S — CID 9314517

IUPAC3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H17ClN2O2S/c17-14-11-6-2-3-7-12(11)22-15(14)16(21)18-10-13(20)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H,18,21)
InChIKeyOSAJVXAQRKELBK-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.30
Rot. Bonds3

About 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 9314517) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID9314517
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H17ClN2O2S/c17-14-11-6-2-3-7-12(11)22-15(14)16(21)18-10-13(20)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H,18,21)
InChIKeyOSAJVXAQRKELBK-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide (CID 9314517) is 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCC(=O)N1CCCCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is OSAJVXAQRKELBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-14-11-6-2-3-7-12(11)22-15(14)16(21)18-10-13(20)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H,18,21).
What are the key properties of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9314517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).