N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide

C13H19NO3S — CID 851320

IUPACN-tert-butyl-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-10-5-7-11(8-6-10)18(16,17)9-12(15)14-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyNEYMRHFXBBMNNX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.68
Rot. Bonds3

About N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide

N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 851320) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylphenyl)sulfonylacetamide
PubChem CID851320
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-tert-butyl-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-10-5-7-11(8-6-10)18(16,17)9-12(15)14-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyNEYMRHFXBBMNNX-UHFFFAOYSA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide (CID 851320) is N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is NEYMRHFXBBMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-5-7-11(8-6-10)18(16,17)9-12(15)14-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide?
N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 851320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).