2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

C20H26N2O2S — CID 35043731

IUPAC2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C
InChIInChI=1S/C20H26N2O2S/c1-15-7-8-17(12-16(15)2)24-14-20(23)21-13-18(19-6-5-11-25-19)22-9-3-4-10-22/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyBKJMWUIJQLACHP-GOSISDBHSA-N
MW358.51 g/mol
LogP3.70
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 35043731) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
PubChem CID35043731
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C
InChIInChI=1S/C20H26N2O2S/c1-15-7-8-17(12-16(15)2)24-14-20(23)21-13-18(19-6-5-11-25-19)22-9-3-4-10-22/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyBKJMWUIJQLACHP-GOSISDBHSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577553
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 35042194
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014583
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
2-(4-nitrophenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014093
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35042165
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 110306577

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (CID 35043731) is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is BKJMWUIJQLACHP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-7-8-17(12-16(15)2)24-14-20(23)21-13-18(19-6-5-11-25-19)22-9-3-4-10-22/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 35043731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).