N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide

C13H15NO5S — CID 82368879

IUPACN-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide
SMILESC#CCS(=O)(=O)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H15NO5S/c1-4-7-20(16,17)9-13(15)14-11-8-10(18-2)5-6-12(11)19-3/h1,5-6,8H,7,9H2,2-3H3,(H,14,15)
InChIKeyYUMOGBKXOTWBLY-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.69
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide

N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide (PubChem CID 82368879) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide
PubChem CID82368879
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC NameN-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide
SMILESC#CCS(=O)(=O)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H15NO5S/c1-4-7-20(16,17)9-13(15)14-11-8-10(18-2)5-6-12(11)19-3/h1,5-6,8H,7,9H2,2-3H3,(H,14,15)
InChIKeyYUMOGBKXOTWBLY-UHFFFAOYSA-N
XLogP0.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
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
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide (CID 82368879) is N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide is C#CCS(=O)(=O)CC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide?
The InChIKey is YUMOGBKXOTWBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-4-7-20(16,17)9-13(15)14-11-8-10(18-2)5-6-12(11)19-3/h1,5-6,8H,7,9H2,2-3H3,(H,14,15).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide?
N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide has a molecular weight of 297.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide is sourced from PubChem (CID 82368879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).