N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide

C22H30N2O4S — CID 16891041

IUPACN-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-2-16-28-21-9-11-22(12-10-21)29(25,26)23-13-3-4-19-5-7-20(8-6-19)24-14-17-27-18-15-24/h5-12,23H,2-4,13-18H2,1H3
InChIKeyDOKFAYKLTRNRSD-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.22
Rot. Bonds10

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

N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide (PubChem CID 16891041) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
PubChem CID16891041
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-2-16-28-21-9-11-22(12-10-21)29(25,26)23-13-3-4-19-5-7-20(8-6-19)24-14-17-27-18-15-24/h5-12,23H,2-4,13-18H2,1H3
InChIKeyDOKFAYKLTRNRSD-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.22
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 N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide 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-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
4-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890704
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide (CID 16891041) is N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide?
The InChIKey is DOKFAYKLTRNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-2-16-28-21-9-11-22(12-10-21)29(25,26)23-13-3-4-19-5-7-20(8-6-19)24-14-17-27-18-15-24/h5-12,23H,2-4,13-18H2,1H3.
What are the key properties of N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide?
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide is sourced from PubChem (CID 16891041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).