5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine

C25H30N2O6S — CID 23347189

IUPAC5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccc(C(C)=O)cc1S(N)(=O)=O.COc1ccccc1OCCNCc1ccccc1
InChIInChI=1S/C16H19NO2.C9H11NO4S/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14;1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h2-10,17H,11-13H2,1H3;3-5H,1-2H3,(H2,10,12,13)
InChIKeyNYJNSRWXGHQLBU-UHFFFAOYSA-N
MW486.59 g/mol
LogP3.41
Rot. Bonds10

About 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine

5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine (PubChem CID 23347189) has the molecular formula C25H30N2O6S and a molecular weight of 486.59 g/mol. Its IUPAC name is 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine
PubChem CID23347189
Molecular FormulaC25H30N2O6S
Molecular Weight486.59 g/mol
Exact Mass486.18
IUPAC Name5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccc(C(C)=O)cc1S(N)(=O)=O.COc1ccccc1OCCNCc1ccccc1
InChIInChI=1S/C16H19NO2.C9H11NO4S/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14;1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h2-10,17H,11-13H2,1H3;3-5H,1-2H3,(H2,10,12,13)
InChIKeyNYJNSRWXGHQLBU-UHFFFAOYSA-N
XLogP3.41
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
5-(3-acetylphenyl)-2-methoxybenzenesulfonamide
CID 134424297

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine (CID 23347189) is 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine is COc1ccc(C(C)=O)cc1S(N)(=O)=O.COc1ccccc1OCCNCc1ccccc1.
What is the InChIKey of 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is NYJNSRWXGHQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C9H11NO4S/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14;1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h2-10,17H,11-13H2,1H3;3-5H,1-2H3,(H2,10,12,13).
What are the key properties of 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine?
5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 486.59 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 23347189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).