N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

C21H22N4O4S — CID 33255161

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)cc1
InChIInChI=1S/C21H22N4O4S/c1-3-22-19(26)12-28-16-10-8-15(9-11-16)24-21(27)17-6-4-5-7-18(17)30-13-20-23-14(2)25-29-20/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyBLGJDWSNGJSDNO-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.44
Rot. Bonds9

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (PubChem CID 33255161) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
PubChem CID33255161
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)cc1
InChIInChI=1S/C21H22N4O4S/c1-3-22-19(26)12-28-16-10-8-15(9-11-16)24-21(27)17-6-4-5-7-18(17)30-13-20-23-14(2)25-29-20/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyBLGJDWSNGJSDNO-UHFFFAOYSA-N
XLogP3.44
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
CID 55782764
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 46517408
N-(2-bromophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30390679
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 33186980
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 55804617
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30698035
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 30392277
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55603958
N'-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 33007347

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (CID 33255161) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is CCNC(=O)COc1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is BLGJDWSNGJSDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-3-22-19(26)12-28-16-10-8-15(9-11-16)24-21(27)17-6-4-5-7-18(17)30-13-20-23-14(2)25-29-20/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,24,27).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 33255161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).