N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide

C18H20N2O3S — CID 70781335

IUPACN-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C18H20N2O3S/c1-12-4-5-15-14(10-12)13(2)17(23-15)18(21)20(7-8-22-3)11-16-19-6-9-24-16/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyYGBLSBVRELSAFY-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.79
Rot. Bonds6

About N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 70781335) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID70781335
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C18H20N2O3S/c1-12-4-5-15-14(10-12)13(2)17(23-15)18(21)20(7-8-22-3)11-16-19-6-9-24-16/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyYGBLSBVRELSAFY-UHFFFAOYSA-N
XLogP3.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 70781335) is N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide is COCCN(Cc1nccs1)C(=O)c1oc2ccc(C)cc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is YGBLSBVRELSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-5-15-14(10-12)13(2)17(23-15)18(21)20(7-8-22-3)11-16-19-6-9-24-16/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70781335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).