2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide

C17H21NO2S — CID 9051743

IUPAC2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCc1cccc(OCC(=O)N[C@@H](c2cccs2)C(C)C)c1
InChIInChI=1S/C17H21NO2S/c1-12(2)17(15-8-5-9-21-15)18-16(19)11-20-14-7-4-6-13(3)10-14/h4-10,12,17H,11H2,1-3H3,(H,18,19)/t17-/m1/s1
InChIKeyKPTSSKSQCBHZSF-QGZVFWFLSA-N
MW303.43 g/mol
LogP3.95
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide

2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide (PubChem CID 9051743) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
PubChem CID9051743
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCc1cccc(OCC(=O)N[C@@H](c2cccs2)C(C)C)c1
InChIInChI=1S/C17H21NO2S/c1-12(2)17(15-8-5-9-21-15)18-16(19)11-20-14-7-4-6-13(3)10-14/h4-10,12,17H,11H2,1-3H3,(H,18,19)/t17-/m1/s1
InChIKeyKPTSSKSQCBHZSF-QGZVFWFLSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
2-(2-methoxyphenoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46828508
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24581990
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide (CID 9051743) is 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide is Cc1cccc(OCC(=O)N[C@@H](c2cccs2)C(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is KPTSSKSQCBHZSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(2)17(15-8-5-9-21-15)18-16(19)11-20-14-7-4-6-13(3)10-14/h4-10,12,17H,11H2,1-3H3,(H,18,19)/t17-/m1/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 9051743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).