N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide

C23H30N2OS — CID 8682410

IUPACN-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2OS/c1-17-13-18(2)23(19(3)14-17)27-16-22(26)24-21-9-11-25(12-10-21)15-20-7-5-4-6-8-20/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,24,26)
InChIKeyXMAJIOJGVDNPLR-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.48
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide

N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide (PubChem CID 8682410) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
PubChem CID8682410
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2OS/c1-17-13-18(2)23(19(3)14-17)27-16-22(26)24-21-9-11-25(12-10-21)15-20-7-5-4-6-8-20/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,24,26)
InChIKeyXMAJIOJGVDNPLR-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
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-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24663652
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
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108532245
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
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
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide (CID 8682410) is N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide is Cc1cc(C)c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The InChIKey is XMAJIOJGVDNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-17-13-18(2)23(19(3)14-17)27-16-22(26)24-21-9-11-25(12-10-21)15-20-7-5-4-6-8-20/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide has a molecular weight of 382.57 g/mol, XLogP of 4.48, 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-(2,4,6-trimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 8682410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).