3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide

C18H21ClN2O2S — CID 25163811

IUPAC3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCC1CC(C)CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1
InChIInChI=1S/C18H21ClN2O2S/c1-11-7-12(2)10-21(9-11)15(22)8-20-18(23)17-16(19)13-5-3-4-6-14(13)24-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyZWHPDCMVYSWGIE-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.79
Rot. Bonds3

About 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 25163811) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID25163811
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCC1CC(C)CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1
InChIInChI=1S/C18H21ClN2O2S/c1-11-7-12(2)10-21(9-11)15(22)8-20-18(23)17-16(19)13-5-3-4-6-14(13)24-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyZWHPDCMVYSWGIE-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 25163811) is 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide is CC1CC(C)CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1.
What is the InChIKey of 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZWHPDCMVYSWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-11-7-12(2)10-21(9-11)15(22)8-20-18(23)17-16(19)13-5-3-4-6-14(13)24-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 3.79, 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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25163811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).