N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide

C14H15NO5S2 — CID 42100169

IUPACN-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H15NO5S2/c1-19-10-5-6-12(20-2)11(8-10)15-13(16)9-22(17,18)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyKPRCTFORALTAMF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.18
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide

N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide (PubChem CID 42100169) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
PubChem CID42100169
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC NameN-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H15NO5S2/c1-19-10-5-6-12(20-2)11(8-10)15-13(16)9-22(17,18)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyKPRCTFORALTAMF-UHFFFAOYSA-N
XLogP2.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037277
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide
CID 42100153
N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368879
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 27372749
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751105
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide (CID 42100169) is N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide is COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide?
The InChIKey is KPRCTFORALTAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-19-10-5-6-12(20-2)11(8-10)15-13(16)9-22(17,18)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide?
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide has a molecular weight of 341.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 42100169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).