N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C17H21N3O4S — CID 55666194

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H21N3O4S/c1-20(25(22,23)15-7-5-10-18-12-15)13-17(21)19-11-9-14-6-3-4-8-16(14)24-2/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21)
InChIKeyTZXGBNVANUOQDL-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.07
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55666194) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55666194
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H21N3O4S/c1-20(25(22,23)15-7-5-10-18-12-15)13-17(21)19-11-9-14-6-3-4-8-16(14)24-2/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21)
InChIKeyTZXGBNVANUOQDL-UHFFFAOYSA-N
XLogP1.07
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55665911
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522653
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55670864
3-fluoro-4-methyl-N-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethyl]benzamide
CID 55666059
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017790

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55666194) is N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is COc1ccccc1CCNC(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is TZXGBNVANUOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-20(25(22,23)15-7-5-10-18-12-15)13-17(21)19-11-9-14-6-3-4-8-16(14)24-2/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55666194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).