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

C15H16N2O2S — CID 670788

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-11(18)17(2)13-7-5-12(6-8-13)16-15(19)10-14-4-3-9-20-14/h3-9H,10H2,1-2H3,(H,16,19)
InChIKeyXLKOUNADQYVPDZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.91
Rot. Bonds4

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

N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 670788) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
PubChem CID670788
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-11(18)17(2)13-7-5-12(6-8-13)16-15(19)10-14-4-3-9-20-14/h3-9H,10H2,1-2H3,(H,16,19)
InChIKeyXLKOUNADQYVPDZ-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide (CID 670788) is N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide is CC(=O)N(C)c1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is XLKOUNADQYVPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(18)17(2)13-7-5-12(6-8-13)16-15(19)10-14-4-3-9-20-14/h3-9H,10H2,1-2H3,(H,16,19).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 670788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).