4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide

C20H28N2O4S — CID 29227542

IUPAC4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCCCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C20H28N2O4S/c1-3-13-26-19-10-7-17(14-20(19)25-4-2)15-22-12-11-16-5-8-18(9-6-16)27(21,23)24/h5-10,14,22H,3-4,11-13,15H2,1-2H3,(H2,21,23,24)
InChIKeyQVUHJOCESFQXNU-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.85
Rot. Bonds11

About 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide

4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 29227542) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID29227542
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCCCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C20H28N2O4S/c1-3-13-26-19-10-7-17(14-20(19)25-4-2)15-22-12-11-16-5-8-18(9-6-16)27(21,23)24/h5-10,14,22H,3-4,11-13,15H2,1-2H3,(H2,21,23,24)
InChIKeyQVUHJOCESFQXNU-UHFFFAOYSA-N
XLogP2.85
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(3-bromo-4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17158026
4-[2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 4718398
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
4-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292800
2-[2-chloro-6-ethoxy-4-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 4718653
4-[2-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 66532444
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
4-[2-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292945
1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111245766
4-[2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17293037

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide (CID 29227542) is 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide is CCCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OCC.
What is the InChIKey of 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is QVUHJOCESFQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-3-13-26-19-10-7-17(14-20(19)25-4-2)15-22-12-11-16-5-8-18(9-6-16)27(21,23)24/h5-10,14,22H,3-4,11-13,15H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide?
4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 29227542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).