N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide

C21H26N2OS — CID 26691346

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2OS/c1-17-7-5-6-10-20(17)25-16-21(24)22-19-11-13-23(14-12-19)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyAFJPTDWQKGFJSB-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.87
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide

N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 26691346) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID26691346
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2OS/c1-17-7-5-6-10-20(17)25-16-21(24)22-19-11-13-23(14-12-19)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyAFJPTDWQKGFJSB-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959675
N-(1-benzylpiperidin-4-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167761111
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16565177
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide (CID 26691346) is N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is AFJPTDWQKGFJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-17-7-5-6-10-20(17)25-16-21(24)22-19-11-13-23(14-12-19)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 354.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 26691346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).