2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide

C21H25FN2OS — CID 55745273

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1cccc(CN2CCC(NC(=O)CSc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN2OS/c1-16-3-2-4-17(13-16)14-24-11-9-19(10-12-24)23-21(25)15-26-20-7-5-18(22)6-8-20/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)
InChIKeyJYHVUMCTEMKOJM-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55745273) has the molecular formula C21H25FN2OS and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55745273
Molecular FormulaC21H25FN2OS
Molecular Weight372.51 g/mol
Exact Mass372.17
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1cccc(CN2CCC(NC(=O)CSc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN2OS/c1-16-3-2-4-17(13-16)14-24-11-9-19(10-12-24)23-21(25)15-26-20-7-5-18(22)6-8-20/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)
InChIKeyJYHVUMCTEMKOJM-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
methyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 86841431
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959675
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 45010994
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 51123737

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide (CID 55745273) is 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide is Cc1cccc(CN2CCC(NC(=O)CSc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is JYHVUMCTEMKOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2OS/c1-16-3-2-4-17(13-16)14-24-11-9-19(10-12-24)23-21(25)15-26-20-7-5-18(22)6-8-20/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55745273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).