2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide

C13H20N2O5S — CID 27664736

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O5S/c1-9(2)15-13(16)8-14-21(17,18)12-7-10(19-3)5-6-11(12)20-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeyXEKNVFNEWDBDHK-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.51
Rot. Bonds7

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 27664736) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID27664736
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O5S/c1-9(2)15-13(16)8-14-21(17,18)12-7-10(19-3)5-6-11(12)20-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeyXEKNVFNEWDBDHK-UHFFFAOYSA-N
XLogP0.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
CID 3870840
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 97023558

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 27664736) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide is COc1ccc(OC)c(S(=O)(=O)NCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is XEKNVFNEWDBDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9(2)15-13(16)8-14-21(17,18)12-7-10(19-3)5-6-11(12)20-4/h5-7,9,14H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 316.38 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 27664736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).