N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide

C21H22N4O3S — CID 55782764

IUPACN-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2nc(C)no2)c1
InChIInChI=1S/C21H22N4O3S/c1-4-22-20(26)15-10-9-13(2)17(11-15)24-21(27)16-7-5-6-8-18(16)29-12-19-23-14(3)25-28-19/h5-11H,4,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyLIVTZKVVUQVCCD-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.98
Rot. Bonds7

About N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide

N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide (PubChem CID 55782764) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
PubChem CID55782764
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2nc(C)no2)c1
InChIInChI=1S/C21H22N4O3S/c1-4-22-20(26)15-10-9-13(2)17(11-15)24-21(27)16-7-5-6-8-18(16)29-12-19-23-14(3)25-28-19/h5-11H,4,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyLIVTZKVVUQVCCD-UHFFFAOYSA-N
XLogP3.98
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 43048434
methyl 3-methyl-4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzoate
CID 30698820
N-(2-bromophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30390679
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 30390937
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 33255161
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 46517408
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30698035
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55603958
methyl 4-methyl-3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]benzoate
CID 55433637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide?
The IUPAC name of N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide (CID 55782764) is N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide is CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2nc(C)no2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide?
The InChIKey is LIVTZKVVUQVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-4-22-20(26)15-10-9-13(2)17(11-15)24-21(27)16-7-5-6-8-18(16)29-12-19-23-14(3)25-28-19/h5-11H,4,12H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide?
N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55782764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).