2-(benzenesulfonyl)-N-tert-butylacetamide

C12H17NO3S — CID 851315

IUPAC2-(benzenesulfonyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-12(2,3)13-11(14)9-17(15,16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyDLEQIEFEGGHHJN-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.38
Rot. Bonds3

About 2-(benzenesulfonyl)-N-tert-butylacetamide

2-(benzenesulfonyl)-N-tert-butylacetamide (PubChem CID 851315) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-tert-butylacetamide
PubChem CID851315
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(benzenesulfonyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-12(2,3)13-11(14)9-17(15,16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyDLEQIEFEGGHHJN-UHFFFAOYSA-N
XLogP1.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-tert-butylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-tert-butylacetamide (CID 851315) is 2-(benzenesulfonyl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-tert-butylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-tert-butylacetamide?
The InChIKey is DLEQIEFEGGHHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(2,3)13-11(14)9-17(15,16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of 2-(benzenesulfonyl)-N-tert-butylacetamide?
2-(benzenesulfonyl)-N-tert-butylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-tert-butylacetamide is sourced from PubChem (CID 851315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).