3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

C18H21ClN2OS — CID 35043416

IUPAC3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2OS/c19-15-7-4-6-14(12-15)18(22)20-13-16(17-8-5-11-23-17)21-9-2-1-3-10-21/h4-8,11-12,16H,1-3,9-10,13H2,(H,20,22)/t16-/m0/s1
InChIKeyQCXVOOGYCYABML-INIZCTEOSA-N
MW348.90 g/mol
LogP4.36
Rot. Bonds5

About 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 35043416) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID35043416
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2OS/c19-15-7-4-6-14(12-15)18(22)20-13-16(17-8-5-11-23-17)21-9-2-1-3-10-21/h4-8,11-12,16H,1-3,9-10,13H2,(H,20,22)/t16-/m0/s1
InChIKeyQCXVOOGYCYABML-INIZCTEOSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 35043416) is 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is QCXVOOGYCYABML-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c19-15-7-4-6-14(12-15)18(22)20-13-16(17-8-5-11-23-17)21-9-2-1-3-10-21/h4-8,11-12,16H,1-3,9-10,13H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
3-chloro-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 348.90 g/mol, XLogP of 4.36, 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-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 35043416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).