2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C20H30N2OS — CID 2444220

IUPAC2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H30N2OS/c1-24-18-11-5-4-10-17(18)19(23)21-16-20(12-6-2-7-13-20)22-14-8-3-9-15-22/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,21,23)
InChIKeyDEHKMJUSBPDGQE-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.33
Rot. Bonds5

About 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 2444220) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID2444220
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Name2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H30N2OS/c1-24-18-11-5-4-10-17(18)19(23)21-16-20(12-6-2-7-13-20)22-14-8-3-9-15-22/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,21,23)
InChIKeyDEHKMJUSBPDGQE-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
1-(4-{[(4-Methylphenyl)thio]methyl}benzoyl)piperidine
CID 961997
N-(2-methylbenzyl)-2-(methylthio)benzamide
CID 2223490
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
CID 2228740
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 2962943
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
CID 4783727
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
2-Methylsulfanyl-N-{2-[4-(piperidine-1-sulfonyl)-phenyl]-ethyl}-benzamide
CID 1072632
N-[(E)-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5337316
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-pentylcarbamothioate
CID 404013

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 2444220) is 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CSc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is DEHKMJUSBPDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c1-24-18-11-5-4-10-17(18)19(23)21-16-20(12-6-2-7-13-20)22-14-8-3-9-15-22/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,21,23).
What are the key properties of 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 346.54 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2444220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).