4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

C16H24N2O4S — CID 110722694

IUPAC4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)13-4-6-14(7-5-13)23(20,21)17-8-9-18-10-11-22-12-15(18)19/h4-7,17H,8-12H2,1-3H3
InChIKeyURKKLQWJELOECN-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.12
Rot. Bonds5

About 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 110722694) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID110722694
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)13-4-6-14(7-5-13)23(20,21)17-8-9-18-10-11-22-12-15(18)19/h4-7,17H,8-12H2,1-3H3
InChIKeyURKKLQWJELOECN-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide 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 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (CID 110722694) is 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is URKKLQWJELOECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)13-4-6-14(7-5-13)23(20,21)17-8-9-18-10-11-22-12-15(18)19/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110722694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).