2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide

C12H18N2O3S — CID 2186669

IUPAC2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-10(2)13-12(15)9-14(3)18(16,17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,15)
InChIKeyZBGOMMFDIFXOTM-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.83
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide

2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide (PubChem CID 2186669) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide
PubChem CID2186669
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-10(2)13-12(15)9-14(3)18(16,17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,15)
InChIKeyZBGOMMFDIFXOTM-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide (CID 2186669) is 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide?
The InChIKey is ZBGOMMFDIFXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10(2)13-12(15)9-14(3)18(16,17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,15).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide has a molecular weight of 270.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2186669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).