N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide

C17H22N2O2S — CID 16931206

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(c2ccsc2)N(C)C)c1
InChIInChI=1S/C17H22N2O2S/c1-13-5-4-6-15(9-13)21-11-17(20)18-10-16(19(2)3)14-7-8-22-12-14/h4-9,12,16H,10-11H2,1-3H3,(H,18,20)
InChIKeyCNKSZPYEKMPPAU-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 16931206) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
PubChem CID16931206
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(c2ccsc2)N(C)C)c1
InChIInChI=1S/C17H22N2O2S/c1-13-5-4-6-15(9-13)21-11-17(20)18-10-16(19(2)3)14-7-8-22-12-14/h4-9,12,16H,10-11H2,1-3H3,(H,18,20)
InChIKeyCNKSZPYEKMPPAU-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16931215
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931343
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 30521125
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 43060685
N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 45155081
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide (CID 16931206) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC(c2ccsc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is CNKSZPYEKMPPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13-5-4-6-15(9-13)21-11-17(20)18-10-16(19(2)3)14-7-8-22-12-14/h4-9,12,16H,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 16931206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).