2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C21H26N2O4S — CID 16895086

IUPAC2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-15-11-16(2)21(17(3)12-15)28(25,26)22-13-20(24)23-9-10-27-19(14-23)18-7-5-4-6-8-18/h4-8,11-12,19,22H,9-10,13-14H2,1-3H3
InChIKeyVWIVUMGYWKXMNK-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.49
Rot. Bonds5

About 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895086) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895086
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-15-11-16(2)21(17(3)12-15)28(25,26)22-13-20(24)23-9-10-27-19(14-23)18-7-5-4-6-8-18/h4-8,11-12,19,22H,9-10,13-14H2,1-3H3
InChIKeyVWIVUMGYWKXMNK-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-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

Related Compounds

2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895132
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895090
3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895102
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
CID 112991968
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
1-(2-methylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16895212
4-ethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894751
2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
CID 110348278
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110102646

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895086) is 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is VWIVUMGYWKXMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-11-16(2)21(17(3)12-15)28(25,26)22-13-20(24)23-9-10-27-19(14-23)18-7-5-4-6-8-18/h4-8,11-12,19,22H,9-10,13-14H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).