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

C21H18N4O2S — CID 60536221

IUPACN-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NCc1nc(-c2cccs2)no1
InChIInChI=1S/C21H18N4O2S/c1-14-9-10-16(23-21(26)15-6-3-2-4-7-15)12-17(14)22-13-19-24-20(25-27-19)18-8-5-11-28-18/h2-12,22H,13H2,1H3,(H,23,26)
InChIKeyPKAJCRHFMHIMLF-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.97
Rot. Bonds6

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

N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide (PubChem CID 60536221) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide
PubChem CID60536221
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NCc1nc(-c2cccs2)no1
InChIInChI=1S/C21H18N4O2S/c1-14-9-10-16(23-21(26)15-6-3-2-4-7-15)12-17(14)22-13-19-24-20(25-27-19)18-8-5-11-28-18/h2-12,22H,13H2,1H3,(H,23,26)
InChIKeyPKAJCRHFMHIMLF-UHFFFAOYSA-N
XLogP4.97
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methyl-N-(2-methylpropyl)-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 49433378
2-methyl-N-[4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]propanamide
CID 55894238
2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 39998932
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563880
1-(3,5-dimethylphenyl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiourea
CID 95161788
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
4-(3,4-dimethylphenyl)-4-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110632073
N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide?
The IUPAC name of N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide (CID 60536221) is N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NCc1nc(-c2cccs2)no1.
What is the InChIKey of N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide?
The InChIKey is PKAJCRHFMHIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-9-10-16(23-21(26)15-6-3-2-4-7-15)12-17(14)22-13-19-24-20(25-27-19)18-8-5-11-28-18/h2-12,22H,13H2,1H3,(H,23,26).
What are the key properties of N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide?
N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide is sourced from PubChem (CID 60536221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).