N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

C24H22N2O4S — CID 45214602

IUPACN-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCC2Cc3cc(C)cc(-c4nc5ccccc5s4)c3O2)o1
InChIInChI=1S/C24H22N2O4S/c1-14-9-15-11-17(12-25-23(27)20-8-7-16(29-20)13-28-2)30-22(15)18(10-14)24-26-19-5-3-4-6-21(19)31-24/h3-10,17H,11-13H2,1-2H3,(H,25,27)
InChIKeyFATYYBGGZYQDTR-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.74
Rot. Bonds6

About N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 45214602) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID45214602
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCC2Cc3cc(C)cc(-c4nc5ccccc5s4)c3O2)o1
InChIInChI=1S/C24H22N2O4S/c1-14-9-15-11-17(12-25-23(27)20-8-7-16(29-20)13-28-2)30-22(15)18(10-14)24-26-19-5-3-4-6-21(19)31-24/h3-10,17H,11-13H2,1-2H3,(H,25,27)
InChIKeyFATYYBGGZYQDTR-UHFFFAOYSA-N
XLogP4.74
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methoxypropanamide
CID 45186146
N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 42273851
N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 45167164
(4S)-N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,2-dimethyloxane-4-carboxamide
CID 26348440
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42321882
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97434585
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 17114714
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45220704

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 45214602) is N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NCC2Cc3cc(C)cc(-c4nc5ccccc5s4)c3O2)o1.
What is the InChIKey of N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is FATYYBGGZYQDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-14-9-15-11-17(12-25-23(27)20-8-7-16(29-20)13-28-2)30-22(15)18(10-14)24-26-19-5-3-4-6-21(19)31-24/h3-10,17H,11-13H2,1-2H3,(H,25,27).
What are the key properties of N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 45214602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).