N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide

C20H23FN2OS — CID 23723624

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2OS/c1-25-19-11-5-3-9-17(19)20(24)22-16-8-6-12-23(14-16)13-15-7-2-4-10-18(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24)
InChIKeyPOXYDAWPGUWLPZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.94
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide (PubChem CID 23723624) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide
PubChem CID23723624
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2OS/c1-25-19-11-5-3-9-17(19)20(24)22-16-8-6-12-23(14-16)13-15-7-2-4-10-18(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24)
InChIKeyPOXYDAWPGUWLPZ-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
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4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
N-(2-methylbenzyl)-2-(methylthio)benzamide
CID 2223490
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 2962943
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
CID 4783727
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide
CID 4846989
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
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CID 1072632

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide (CID 23723624) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is POXYDAWPGUWLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2OS/c1-25-19-11-5-3-9-17(19)20(24)22-16-8-6-12-23(14-16)13-15-7-2-4-10-18(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 358.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 23723624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).