4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide

C22H30N2O4S — CID 16891028

IUPAC4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H30N2O4S/c1-3-28-22-11-10-21(17-18(22)2)29(25,26)23-12-4-5-19-6-8-20(9-7-19)24-13-15-27-16-14-24/h6-11,17,23H,3-5,12-16H2,1-2H3
InChIKeyUQDUWNWSRSPOFR-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.14
Rot. Bonds9

About 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (PubChem CID 16891028) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
PubChem CID16891028
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H30N2O4S/c1-3-28-22-11-10-21(17-18(22)2)29(25,26)23-12-4-5-19-6-8-20(9-7-19)24-13-15-27-16-14-24/h6-11,17,23H,3-5,12-16H2,1-2H3
InChIKeyUQDUWNWSRSPOFR-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]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

4-ethoxy-3-methyl-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891183
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
CID 16891034

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (CID 16891028) is 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The InChIKey is UQDUWNWSRSPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-3-28-22-11-10-21(17-18(22)2)29(25,26)23-12-4-5-19-6-8-20(9-7-19)24-13-15-27-16-14-24/h6-11,17,23H,3-5,12-16H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 16891028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).