N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C20H17N3O3S — CID 4799935

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1
InChIInChI=1S/C20H17N3O3S/c1-2-17-22-23-20(27-17)21-19(24)18-15(12-25-13-8-4-3-5-9-13)14-10-6-7-11-16(14)26-18/h3-11H,2,12H2,1H3,(H,21,23,24)
InChIKeyMONPYPXBJHMEIS-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.68
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 4799935) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID4799935
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1
InChIInChI=1S/C20H17N3O3S/c1-2-17-22-23-20(27-17)21-19(24)18-15(12-25-13-8-4-3-5-9-13)14-10-6-7-11-16(14)26-18/h3-11H,2,12H2,1H3,(H,21,23,24)
InChIKeyMONPYPXBJHMEIS-UHFFFAOYSA-N
XLogP4.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2669833
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7919912
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 55807334
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86896545
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55377948
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 4799935) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CCc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MONPYPXBJHMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-17-22-23-20(27-17)21-19(24)18-15(12-25-13-8-4-3-5-9-13)14-10-6-7-11-16(14)26-18/h3-11H,2,12H2,1H3,(H,21,23,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4799935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).