3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide

C17H19ClN2O2S — CID 25163670

IUPAC3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCC1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1
InChIInChI=1S/C17H19ClN2O2S/c1-11-5-4-8-20(10-11)14(21)9-19-17(22)16-15(18)12-6-2-3-7-13(12)23-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,22)
InChIKeyRDEMFPRUWLPYOP-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.54
Rot. Bonds3

About 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 25163670) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID25163670
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCC1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1
InChIInChI=1S/C17H19ClN2O2S/c1-11-5-4-8-20(10-11)14(21)9-19-17(22)16-15(18)12-6-2-3-7-13(12)23-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,22)
InChIKeyRDEMFPRUWLPYOP-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.54
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-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 25163670) is 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide is CC1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1.
What is the InChIKey of 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is RDEMFPRUWLPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11-5-4-8-20(10-11)14(21)9-19-17(22)16-15(18)12-6-2-3-7-13(12)23-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,22).
What are the key properties of 3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 350.87 g/mol, XLogP of 3.54, 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-(3-methylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25163670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).