2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide

C16H27N3O6S — CID 113149929

IUPAC2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(CCN(C)C)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C16H27N3O6S/c1-18(2)7-8-19(26(6,21)22)11-15(20)17-12-9-13(23-3)16(25-5)14(10-12)24-4/h9-10H,7-8,11H2,1-6H3,(H,17,20)
InChIKeyGFYSOQBBQRDVBE-UHFFFAOYSA-N
MW389.47 g/mol
LogP0.47
Rot. Bonds10

About 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113149929) has the molecular formula C16H27N3O6S and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113149929
Molecular FormulaC16H27N3O6S
Molecular Weight389.47 g/mol
Exact Mass389.16
IUPAC Name2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(CCN(C)C)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C16H27N3O6S/c1-18(2)7-8-19(26(6,21)22)11-15(20)17-12-9-13(23-3)16(25-5)14(10-12)24-4/h9-10H,7-8,11H2,1-6H3,(H,17,20)
InChIKeyGFYSOQBBQRDVBE-UHFFFAOYSA-N
XLogP0.47
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113148409
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
2-[ethyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 31993751
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]benzoate
CID 113149927
2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60561238
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186150
3-[[(2R)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186149

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113149929) is 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(CCN(C)C)S(C)(=O)=O)cc(OC)c1OC.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is GFYSOQBBQRDVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O6S/c1-18(2)7-8-19(26(6,21)22)11-15(20)17-12-9-13(23-3)16(25-5)14(10-12)24-4/h9-10H,7-8,11H2,1-6H3,(H,17,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 389.47 g/mol, XLogP of 0.47, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113149929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).