2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide

C14H20N2O4S — CID 112990609

IUPAC2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N2O4S/c1-4-9-15-14(17)10-16-21(18,19)13-7-5-12(6-8-13)20-11(2)3/h4-8,11,16H,1,9-10H2,2-3H3,(H,15,17)
InChIKeyUGTJSQNVSOYDOT-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.05
Rot. Bonds8

About 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide

2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide (PubChem CID 112990609) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide
PubChem CID112990609
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N2O4S/c1-4-9-15-14(17)10-16-21(18,19)13-7-5-12(6-8-13)20-11(2)3/h4-8,11,16H,1,9-10H2,2-3H3,(H,15,17)
InChIKeyUGTJSQNVSOYDOT-UHFFFAOYSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.05
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-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
N-cyclohexyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110285141
N-(3,4-difluorophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113002373
N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112995445
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113001906
2-[[4-(2-methylpropylsulfanyl)-3-nitrophenyl]sulfonylamino]-N-prop-2-enylacetamide
CID 9442203
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide (CID 112990609) is 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The InChIKey is UGTJSQNVSOYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-9-15-14(17)10-16-21(18,19)13-7-5-12(6-8-13)20-11(2)3/h4-8,11,16H,1,9-10H2,2-3H3,(H,15,17).
What are the key properties of 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide?
2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide has a molecular weight of 312.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 112990609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).