N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C14H16N2O5S2 — CID 22422199

IUPACN-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H16N2O5S2/c1-20-10-5-6-12(21-2)11(8-10)16-13(17)9-15-23(18,19)14-4-3-7-22-14/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyPVVNWIJNTAXOHB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.68
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 22422199) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID22422199
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H16N2O5S2/c1-20-10-5-6-12(21-2)11(8-10)16-13(17)9-15-23(18,19)14-4-3-7-22-14/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyPVVNWIJNTAXOHB-UHFFFAOYSA-N
XLogP1.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 22422199) is N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is PVVNWIJNTAXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-20-10-5-6-12(21-2)11(8-10)16-13(17)9-15-23(18,19)14-4-3-7-22-14/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 22422199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).