N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide

C23H19N3O4S — CID 55531632

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/C23H19N3O4S/c1-15-24-22(30-25-15)16-4-6-17(7-5-16)23(27)26(14-19-3-2-12-31-19)18-8-9-20-21(13-18)29-11-10-28-20/h2-9,12-13H,10-11,14H2,1H3
InChIKeyKBWFZULYVBDLNN-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.72
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55531632) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55531632
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/C23H19N3O4S/c1-15-24-22(30-25-15)16-4-6-17(7-5-16)23(27)26(14-19-3-2-12-31-19)18-8-9-20-21(13-18)29-11-10-28-20/h2-9,12-13H,10-11,14H2,1H3
InChIKeyKBWFZULYVBDLNN-UHFFFAOYSA-N
XLogP4.72
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39708928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-N-(thiophen-2-ylmethyl)benzotriazole-5-carboxamide
CID 39708852
N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
CID 55531278
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)quinoxaline-2-carboxamide
CID 9119832
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 46807215
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 39708992
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 29492969
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)butanamide
CID 38925171
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 75429808
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 55583613
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 8009424

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 55531632) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide is Cc1noc(-c2ccc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KBWFZULYVBDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-15-24-22(30-25-15)16-4-6-17(7-5-16)23(27)26(14-19-3-2-12-31-19)18-8-9-20-21(13-18)29-11-10-28-20/h2-9,12-13H,10-11,14H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 433.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55531632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).