N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C23H30N2OS — CID 55754018

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H30N2OS/c1-18-7-9-20(10-8-18)16-27-17-23(26)24-22-11-13-25(14-12-22)15-21-6-4-3-5-19(21)2/h3-10,22H,11-17H2,1-2H3,(H,24,26)
InChIKeyKZAKSZACAGLFNK-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.32
Rot. Bonds7

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 55754018) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID55754018
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H30N2OS/c1-18-7-9-20(10-8-18)16-27-17-23(26)24-22-11-13-25(14-12-22)15-21-6-4-3-5-19(21)2/h3-10,22H,11-17H2,1-2H3,(H,24,26)
InChIKeyKZAKSZACAGLFNK-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753990
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
2-[(2-methylphenyl)methylsulfanyl]-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
CID 118782853
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-cyclopentyl-2-[(2-methylphenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132611630
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 55754018) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NC2CCN(Cc3ccccc3C)CC2)cc1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is KZAKSZACAGLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-18-7-9-20(10-8-18)16-27-17-23(26)24-22-11-13-25(14-12-22)15-21-6-4-3-5-19(21)2/h3-10,22H,11-17H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 382.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 55754018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).