2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide

C19H28N2O2S — CID 100681688

IUPAC2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCC1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C19H28N2O2S/c1-15-4-2-3-5-18(15)23-13-19(22)20-12-16-6-9-21(10-7-16)17-8-11-24-14-17/h2-5,16-17H,6-14H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyACNHFZCVLJOAGW-QGZVFWFLSA-N
MW348.51 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide

2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 100681688) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
PubChem CID100681688
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCC1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C19H28N2O2S/c1-15-4-2-3-5-18(15)23-13-19(22)20-12-16-6-9-21(10-7-16)17-8-11-24-14-17/h2-5,16-17H,6-14H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyACNHFZCVLJOAGW-QGZVFWFLSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N'-(1-phenylethyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624154
2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
N'-(4-methoxyphenyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 121109804

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide (CID 100681688) is 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide is Cc1ccccc1OCC(=O)NCC1CCN([C@@H]2CCSC2)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is ACNHFZCVLJOAGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-15-4-2-3-5-18(15)23-13-19(22)20-12-16-6-9-21(10-7-16)17-8-11-24-14-17/h2-5,16-17H,6-14H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 348.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 100681688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).