2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide

C19H21ClN4O2S — CID 60539230

IUPAC2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-4-19(2,3)23-18(25)14-6-5-13(9-15(14)20)21-10-16-22-17(24-26-16)12-7-8-27-11-12/h5-9,11,21H,4,10H2,1-3H3,(H,23,25)
InChIKeyXTJGSYJZNIXERR-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.98
Rot. Bonds7

About 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide

2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (PubChem CID 60539230) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
PubChem CID60539230
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-4-19(2,3)23-18(25)14-6-5-13(9-15(14)20)21-10-16-22-17(24-26-16)12-7-8-27-11-12/h5-9,11,21H,4,10H2,1-3H3,(H,23,25)
InChIKeyXTJGSYJZNIXERR-UHFFFAOYSA-N
XLogP4.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]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

2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 55917418
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
2-chloro-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674213
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
CID 51121709
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide
CID 6502058
N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 24616632
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (CID 60539230) is 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is CCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The InChIKey is XTJGSYJZNIXERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-4-19(2,3)23-18(25)14-6-5-13(9-15(14)20)21-10-16-22-17(24-26-16)12-7-8-27-11-12/h5-9,11,21H,4,10H2,1-3H3,(H,23,25).
What are the key properties of 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide has a molecular weight of 404.92 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 60539230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).