N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C20H18N2O4S — CID 46649516

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C20H18N2O4S/c23-20(21-7-6-14-4-5-18-19(8-14)26-13-25-18)15-2-1-3-17(9-15)24-10-16-11-27-12-22-16/h1-5,8-9,11-12H,6-7,10,13H2,(H,21,23)
InChIKeyWRRXTUBIEWQERQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 46649516) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID46649516
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C20H18N2O4S/c23-20(21-7-6-14-4-5-18-19(8-14)26-13-25-18)15-2-1-3-17(9-15)24-10-16-11-27-12-22-16/h1-5,8-9,11-12H,6-7,10,13H2,(H,21,23)
InChIKeyWRRXTUBIEWQERQ-UHFFFAOYSA-N
XLogP3.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39431921
N-[2-[[N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111379399
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-[[N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111379398
N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110624728
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18117738
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 46649516) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NCCc1ccc2c(c1)OCO2)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is WRRXTUBIEWQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-20(21-7-6-14-4-5-18-19(8-14)26-13-25-18)15-2-1-3-17(9-15)24-10-16-11-27-12-22-16/h1-5,8-9,11-12H,6-7,10,13H2,(H,21,23).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 382.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 46649516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).