2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide

C17H20N2O2S — CID 110674862

IUPAC2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)N(C)c1ccc(CC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(20)19(2)15-7-5-14(6-8-15)12-17(21)18-10-9-16-4-3-11-22-16/h3-8,11H,9-10,12H2,1-2H3,(H,18,21)
InChIKeyGIOAMXLAFDTHQE-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 110674862) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID110674862
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)N(C)c1ccc(CC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(20)19(2)15-7-5-14(6-8-15)12-17(21)18-10-9-16-4-3-11-22-16/h3-8,11H,9-10,12H2,1-2H3,(H,18,21)
InChIKeyGIOAMXLAFDTHQE-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide
CID 50971166
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16562405
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 55387581
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55626387
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide (CID 110674862) is 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide is CC(=O)N(C)c1ccc(CC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is GIOAMXLAFDTHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(20)19(2)15-7-5-14(6-8-15)12-17(21)18-10-9-16-4-3-11-22-16/h3-8,11H,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 110674862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).