2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C22H31N3O5S — CID 16620430

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C22H31N3O5S/c1-4-25(15-18-8-11-20(30-5-2)21(14-18)29-3)16-22(26)24-13-12-17-6-9-19(10-7-17)31(23,27)28/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyZAFUSYLDQDWZSZ-UHFFFAOYSA-N
MW449.57 g/mol
LogP1.92
Rot. Bonds12

About 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 16620430) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID16620430
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C22H31N3O5S/c1-4-25(15-18-8-11-20(30-5-2)21(14-18)29-3)16-22(26)24-13-12-17-6-9-19(10-7-17)31(23,27)28/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyZAFUSYLDQDWZSZ-UHFFFAOYSA-N
XLogP1.92
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16608734
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
1-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16618560
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620426
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 16620430) is 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CCOc1ccc(CN(CC)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ZAFUSYLDQDWZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-4-25(15-18-8-11-20(30-5-2)21(14-18)29-3)16-22(26)24-13-12-17-6-9-19(10-7-17)31(23,27)28/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 449.57 g/mol, XLogP of 1.92, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 16620430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).