N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

C21H28N2OS2 — CID 55979886

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(CNC(=O)c1ccccc1SCc1cccs1)CN1CCCCC1
InChIInChI=1S/C21H28N2OS2/c1-17(15-23-11-5-2-6-12-23)14-22-21(24)19-9-3-4-10-20(19)26-16-18-8-7-13-25-18/h3-4,7-10,13,17H,2,5-6,11-12,14-16H2,1H3,(H,22,24)
InChIKeyWGJLAKOZOMGXQI-UHFFFAOYSA-N
MW388.60 g/mol
LogP4.89
Rot. Bonds8

About N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 55979886) has the molecular formula C21H28N2OS2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID55979886
Molecular FormulaC21H28N2OS2
Molecular Weight388.60 g/mol
Exact Mass388.16
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(CNC(=O)c1ccccc1SCc1cccs1)CN1CCCCC1
InChIInChI=1S/C21H28N2OS2/c1-17(15-23-11-5-2-6-12-23)14-22-21(24)19-9-3-4-10-20(19)26-16-18-8-7-13-25-18/h3-4,7-10,13,17H,2,5-6,11-12,14-16H2,1H3,(H,22,24)
InChIKeyWGJLAKOZOMGXQI-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463775
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259976
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673923

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 55979886) is N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is CC(CNC(=O)c1ccccc1SCc1cccs1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is WGJLAKOZOMGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS2/c1-17(15-23-11-5-2-6-12-23)14-22-21(24)19-9-3-4-10-20(19)26-16-18-8-7-13-25-18/h3-4,7-10,13,17H,2,5-6,11-12,14-16H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 388.60 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).