2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide

C13H18N2O4S — CID 112990585

IUPAC2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18N2O4S/c1-4-7-14-13(16)9-15-20(17,18)12-6-5-11(19-3)8-10(12)2/h4-6,8,15H,1,7,9H2,2-3H3,(H,14,16)
InChIKeyWILPPZGFOXLYRF-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.58
Rot. Bonds7

About 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide

2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide (PubChem CID 112990585) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
PubChem CID112990585
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18N2O4S/c1-4-7-14-13(16)9-15-20(17,18)12-6-5-11(19-3)8-10(12)2/h4-6,8,15H,1,7,9H2,2-3H3,(H,14,16)
InChIKeyWILPPZGFOXLYRF-UHFFFAOYSA-N
XLogP0.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 126840923
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112995874
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999849
N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999558
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
2-[(4-methoxy-2-methylphenyl)sulfonylamino]pent-4-enoic acid
CID 146127888
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide (CID 112990585) is 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C.
What is the InChIKey of 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The InChIKey is WILPPZGFOXLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-7-14-13(16)9-15-20(17,18)12-6-5-11(19-3)8-10(12)2/h4-6,8,15H,1,7,9H2,2-3H3,(H,14,16).
What are the key properties of 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide has a molecular weight of 298.36 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 112990585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).