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

C22H30N2O2S — CID 35577553

IUPAC2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1C
InChIInChI=1S/C22H30N2O2S/c1-16-8-10-24(11-9-16)20(21-5-4-12-27-21)14-23-22(25)15-26-19-7-6-17(2)18(3)13-19/h4-7,12-13,16,20H,8-11,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyCGELTJBAFCBDFH-HXUWFJFHSA-N
MW386.56 g/mol
LogP4.33
Rot. Bonds7

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

2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 35577553) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID35577553
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1C
InChIInChI=1S/C22H30N2O2S/c1-16-8-10-24(11-9-16)20(21-5-4-12-27-21)14-23-22(25)15-26-19-7-6-17(2)18(3)13-19/h4-7,12-13,16,20H,8-11,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyCGELTJBAFCBDFH-HXUWFJFHSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 35043731
2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride
CID 146052459
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 43003426
2-(2,3-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577562
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
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006385
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide (CID 35577553) is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide is Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is CGELTJBAFCBDFH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-16-8-10-24(11-9-16)20(21-5-4-12-27-21)14-23-22(25)15-26-19-7-6-17(2)18(3)13-19/h4-7,12-13,16,20H,8-11,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 386.56 g/mol, XLogP of 4.33, 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-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 35577553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).