4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride

C16H29ClN2O4S — CID 120717841

IUPAC4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.Cl
InChIInChI=1S/C16H28N2O4S.ClH/c1-12(2)14-11-16(13(3)10-15(14)22-5)23(19,20)18-7-6-17-8-9-21-4;/h10-12,17-18H,6-9H2,1-5H3;1H
InChIKeyDZHJUOQYVCXVTH-UHFFFAOYSA-N
MW380.94 g/mol
LogP2.06
Rot. Bonds10

About 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride

4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 120717841) has the molecular formula C16H29ClN2O4S and a molecular weight of 380.94 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID120717841
Molecular FormulaC16H29ClN2O4S
Molecular Weight380.94 g/mol
Exact Mass380.15
IUPAC Name4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.Cl
InChIInChI=1S/C16H28N2O4S.ClH/c1-12(2)14-11-16(13(3)10-15(14)22-5)23(19,20)18-7-6-17-8-9-21-4;/h10-12,17-18H,6-9H2,1-5H3;1H
InChIKeyDZHJUOQYVCXVTH-UHFFFAOYSA-N
XLogP2.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 52.06
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

4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
4-methoxy-2-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271
N-[2-(4-tert-butylphenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100561505
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 100557539
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride (CID 120717841) is 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.Cl.
What is the InChIKey of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is DZHJUOQYVCXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S.ClH/c1-12(2)14-11-16(13(3)10-15(14)22-5)23(19,20)18-7-6-17-8-9-21-4;/h10-12,17-18H,6-9H2,1-5H3;1H.
What are the key properties of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).