4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C16H26N2O4S — CID 4914479

IUPAC4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
InChIInChI=1S/C16H26N2O4S/c1-12-11-15(13(2)14(3)16(12)21-4)23(19,20)17-5-6-18-7-9-22-10-8-18/h11,17H,5-10H2,1-4H3
InChIKeyAPWRRECMLDGNQA-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.23
Rot. Bonds6

About 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 4914479) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID4914479
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
InChIInChI=1S/C16H26N2O4S/c1-12-11-15(13(2)14(3)16(12)21-4)23(19,20)17-5-6-18-7-9-22-10-8-18/h11,17H,5-10H2,1-4H3
InChIKeyAPWRRECMLDGNQA-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991857
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N-[2-(4-morpholinyl)ethyl]-4-propoxy-1-naphthalenesulfonamide
CID 2239380
4-methoxy-N-(2-morpholinoethyl)naphthalene-1-sulfonamide
CID 2295169
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
4-(4-Methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 801472
4-Methoxy-2,3-dimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 976619

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 4914479) is 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is APWRRECMLDGNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-12-11-15(13(2)14(3)16(12)21-4)23(19,20)17-5-6-18-7-9-22-10-8-18/h11,17H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4914479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).