N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide

C20H22Cl2N2OS — CID 3048630

IUPACN-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2OS/c21-15-4-7-17(8-5-15)26-19-9-6-16(22)14-18(19)23-20(25)10-13-24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKeyLFTDPULWBZMYIZ-UHFFFAOYSA-N
MW409.38 g/mol
LogP5.96
Rot. Bonds6

About N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide

N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide (PubChem CID 3048630) has the molecular formula C20H22Cl2N2OS and a molecular weight of 409.38 g/mol. Its IUPAC name is N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide
PubChem CID3048630
Molecular FormulaC20H22Cl2N2OS
Molecular Weight409.38 g/mol
Exact Mass408.08
IUPAC NameN-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2OS/c21-15-4-7-17(8-5-15)26-19-9-6-16(22)14-18(19)23-20(25)10-13-24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKeyLFTDPULWBZMYIZ-UHFFFAOYSA-N
XLogP5.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide 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 N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide (CID 3048630) is N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1cc(Cl)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is LFTDPULWBZMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2OS/c21-15-4-7-17(8-5-15)26-19-9-6-16(22)14-18(19)23-20(25)10-13-24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25).
What are the key properties of N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide?
N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 409.38 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 3048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).