3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide

C22H23ClN2OS — CID 35577406

IUPAC3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H23ClN2OS/c23-20-17-11-5-6-12-19(17)27-21(20)22(26)24-15-18(16-9-3-1-4-10-16)25-13-7-2-8-14-25/h1,3-6,9-12,18H,2,7-8,13-15H2,(H,24,26)/t18-/m1/s1
InChIKeyLTSHZIQVZSOVCT-GOSISDBHSA-N
MW398.96 g/mol
LogP5.51
Rot. Bonds5

About 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide (PubChem CID 35577406) has the molecular formula C22H23ClN2OS and a molecular weight of 398.96 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide
PubChem CID35577406
Molecular FormulaC22H23ClN2OS
Molecular Weight398.96 g/mol
Exact Mass398.12
IUPAC Name3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H23ClN2OS/c23-20-17-11-5-6-12-19(17)27-21(20)22(26)24-15-18(16-9-3-1-4-10-16)25-13-7-2-8-14-25/h1,3-6,9-12,18H,2,7-8,13-15H2,(H,24,26)/t18-/m1/s1
InChIKeyLTSHZIQVZSOVCT-GOSISDBHSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.96
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-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

Related Compounds

3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 24652549
3-chloro-6-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 34954611
3-chloro-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 26834359
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 77088482
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
1-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369660
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide (CID 35577406) is 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LTSHZIQVZSOVCT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23ClN2OS/c23-20-17-11-5-6-12-19(17)27-21(20)22(26)24-15-18(16-9-3-1-4-10-16)25-13-7-2-8-14-25/h1,3-6,9-12,18H,2,7-8,13-15H2,(H,24,26)/t18-/m1/s1.
What are the key properties of 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35577406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).