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

C18H18N4O3S — CID 38924123

IUPACN-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C18H18N4O3S/c1-19-18(24)12-5-2-6-13(11-12)20-15(23)8-3-9-16-21-17(22-25-16)14-7-4-10-26-14/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,24)(H,20,23)
InChIKeyNEPILBFTGCWSRN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.12
Rot. Bonds7

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

N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide (PubChem CID 38924123) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
PubChem CID38924123
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C18H18N4O3S/c1-19-18(24)12-5-2-6-13(11-12)20-15(23)8-3-9-16-21-17(22-25-16)14-7-4-10-26-14/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,24)(H,20,23)
InChIKeyNEPILBFTGCWSRN-UHFFFAOYSA-N
XLogP3.12
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
N-[4-(dimethylamino)-3,5-difluorophenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862290
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 60548847
4-methoxy-N-methyl-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 87001861
propyl 4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate
CID 38908772
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55686757
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55857526

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
The IUPAC name of N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide (CID 38924123) is N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide.
What is the SMILES notation for N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
The canonical SMILES for N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide is CNC(=O)c1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
The InChIKey is NEPILBFTGCWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-19-18(24)12-5-2-6-13(11-12)20-15(23)8-3-9-16-21-17(22-25-16)14-7-4-10-26-14/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide has a molecular weight of 370.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide is sourced from PubChem (CID 38924123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).