2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide

C12H20N2O3S — CID 143897839

IUPAC2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide
SMILESCC(C)(C)NS(=O)(=O)CC(=O)NC1=CC=CCC1
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)14-18(16,17)9-11(15)13-10-7-5-4-6-8-10/h4-5,7,14H,6,8-9H2,1-3H3,(H,13,15)
InChIKeyJUPMZVUQXGTNOE-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds4

About 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide

2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide (PubChem CID 143897839) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide
PubChem CID143897839
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide
SMILESCC(C)(C)NS(=O)(=O)CC(=O)NC1=CC=CCC1
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)14-18(16,17)9-11(15)13-10-7-5-4-6-8-10/h4-5,7,14H,6,8-9H2,1-3H3,(H,13,15)
InChIKeyJUPMZVUQXGTNOE-UHFFFAOYSA-N
XLogP1.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide?
The IUPAC name of 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide (CID 143897839) is 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide.
What is the SMILES notation for 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide?
The canonical SMILES for 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide is CC(C)(C)NS(=O)(=O)CC(=O)NC1=CC=CCC1.
What is the InChIKey of 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide?
The InChIKey is JUPMZVUQXGTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,3)14-18(16,17)9-11(15)13-10-7-5-4-6-8-10/h4-5,7,14H,6,8-9H2,1-3H3,(H,13,15).
What are the key properties of 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide?
2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide has a molecular weight of 272.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide is sourced from PubChem (CID 143897839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).