2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide

C19H24N2O3S — CID 2252317

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)15-21(14-16-10-6-4-7-11-16)25(23,24)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)
InChIKeyQOSNNYUNIVVPEX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.79
Rot. Bonds6

About 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide

2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide (PubChem CID 2252317) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
PubChem CID2252317
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)15-21(14-16-10-6-4-7-11-16)25(23,24)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)
InChIKeyQOSNNYUNIVVPEX-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzenesulfonyl(benzyl)amino]-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(benzyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide (CID 2252317) is 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
The InChIKey is QOSNNYUNIVVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)15-21(14-16-10-6-4-7-11-16)25(23,24)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 2252317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).