N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide

C16H26N2O5S — CID 113056230

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(CCc1ccc(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C16H26N2O5S/c1-5-24(20,21)17-9-11-18(13(2)19)10-8-14-6-7-15(22-3)16(12-14)23-4/h6-7,12,17H,5,8-11H2,1-4H3
InChIKeyIPPDFHMGNQICBJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.03
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide (PubChem CID 113056230) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
PubChem CID113056230
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(CCc1ccc(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C16H26N2O5S/c1-5-24(20,21)17-9-11-18(13(2)19)10-8-14-6-7-15(22-3)16(12-14)23-4/h6-7,12,17H,5,8-11H2,1-4H3
InChIKeyIPPDFHMGNQICBJ-UHFFFAOYSA-N
XLogP1.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113056192
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113056540
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113055933
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113056311
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-[2-(ethylsulfonylamino)ethyl]-N-(3-methoxypropyl)acetamide
CID 113053334
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113121872
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113121873

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide (CID 113056230) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide is CCS(=O)(=O)NCCN(CCc1ccc(OC)c(OC)c1)C(C)=O.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The InChIKey is IPPDFHMGNQICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-5-24(20,21)17-9-11-18(13(2)19)10-8-14-6-7-15(22-3)16(12-14)23-4/h6-7,12,17H,5,8-11H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 1.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113056230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).