N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H20N2O4S — CID 39431921

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C21H20N2O4S/c1-23(11-15-5-6-19-20(9-15)26-8-7-25-19)21(24)16-3-2-4-18(10-16)27-12-17-13-28-14-22-17/h2-6,9-10,13-14H,7-8,11-12H2,1H3
InChIKeyMJCNMWHGPJCWSM-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.77
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 39431921) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID39431921
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C21H20N2O4S/c1-23(11-15-5-6-19-20(9-15)26-8-7-25-19)21(24)16-3-2-4-18(10-16)27-12-17-13-28-14-22-17/h2-6,9-10,13-14H,7-8,11-12H2,1H3
InChIKeyMJCNMWHGPJCWSM-UHFFFAOYSA-N
XLogP3.77
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34764554
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46649516
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55552254
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143239
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 8751965
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylthiophene-3-carboxamide
CID 60735731
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134054636
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 39431921) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is MJCNMWHGPJCWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-23(11-15-5-6-19-20(9-15)26-8-7-25-19)21(24)16-3-2-4-18(10-16)27-12-17-13-28-14-22-17/h2-6,9-10,13-14H,7-8,11-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 39431921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).