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

C21H28N2O3S — CID 16890979

IUPAC4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-18-7-11-21(12-8-18)27(24,25)22-13-3-4-19-5-9-20(10-6-19)23-14-16-26-17-15-23/h5-12,22H,2-4,13-17H2,1H3
InChIKeyLUWSNQGARTYVTK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.00
Rot. Bonds8

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

4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (PubChem CID 16890979) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
PubChem CID16890979
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-18-7-11-21(12-8-18)27(24,25)22-13-3-4-19-5-9-20(10-6-19)23-14-16-26-17-15-23/h5-12,22H,2-4,13-17H2,1H3
InChIKeyLUWSNQGARTYVTK-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-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-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912
4-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890704
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
4-(4-ethylphenyl)morpholine
CID 20576442
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (CID 16890979) is 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The InChIKey is LUWSNQGARTYVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-18-7-11-21(12-8-18)27(24,25)22-13-3-4-19-5-9-20(10-6-19)23-14-16-26-17-15-23/h5-12,22H,2-4,13-17H2,1H3.
What are the key properties of 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 16890979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).