5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C17H28N2O4S — CID 2235525

IUPAC5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)cc1C
InChIInChI=1S/C17H28N2O4S/c1-4-23-16-13-17(15(3)12-14(16)2)24(20,21)18-6-5-7-19-8-10-22-11-9-19/h12-13,18H,4-11H2,1-3H3
InChIKeyBWSSYNWNFQLXCZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.70
Rot. Bonds8

About 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2235525) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2235525
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)cc1C
InChIInChI=1S/C17H28N2O4S/c1-4-23-16-13-17(15(3)12-14(16)2)24(20,21)18-6-5-7-19-8-10-22-11-9-19/h12-13,18H,4-11H2,1-3H3
InChIKeyBWSSYNWNFQLXCZ-UHFFFAOYSA-N
XLogP1.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 145975778
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127040444
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153
2,4,6-trimethyl-N-[2-(4-propylphenoxy)ethyl]benzenesulfonamide
CID 100321996
1-(5-Methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 801476
4-((5-Ethoxy-2,4-dimethylphenyl)sulfonyl)morpholine
CID 850000
4-methoxy-2,5-dimethyl-N-(3-morpholinopropyl)benzenesulfonamide
CID 2294618
2-Ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
CID 2933359

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2235525) is 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)cc1C.
What is the InChIKey of 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is BWSSYNWNFQLXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-4-23-16-13-17(15(3)12-14(16)2)24(20,21)18-6-5-7-19-8-10-22-11-9-19/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2235525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).