2-(benzenesulfonyl)-N-propan-2-ylacetamide

C11H15NO3S — CID 3324748

IUPAC2-(benzenesulfonyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-9(2)12-11(13)8-16(14,15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyMBQVGOJLQQYBMG-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.98
Rot. Bonds4

About 2-(benzenesulfonyl)-N-propan-2-ylacetamide

2-(benzenesulfonyl)-N-propan-2-ylacetamide (PubChem CID 3324748) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-propan-2-ylacetamide
PubChem CID3324748
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(benzenesulfonyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-9(2)12-11(13)8-16(14,15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyMBQVGOJLQQYBMG-UHFFFAOYSA-N
XLogP0.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-propan-2-ylacetamide (CID 3324748) is 2-(benzenesulfonyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-propan-2-ylacetamide is CC(C)NC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-propan-2-ylacetamide?
The InChIKey is MBQVGOJLQQYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9(2)12-11(13)8-16(14,15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13).
What are the key properties of 2-(benzenesulfonyl)-N-propan-2-ylacetamide?
2-(benzenesulfonyl)-N-propan-2-ylacetamide has a molecular weight of 241.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 3324748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).