N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen

C61H65FN6O9S2 — CID 153359494

IUPACN-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen
SMILESCC1(C)Cc2cccc(OCC(=O)NC3=Nc4ccc(F)cc4CC3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccccc4s3)c2O1.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2ccccc2s1.[H][H].[H][H]
InChIInChI=1S/C21H21FN2O3.C21H22N2O3S.C19H18N2O3S.2H2/c1-21(2)11-14-4-3-5-17(20(14)27-21)26-12-19(25)24-18-9-6-13-10-15(22)7-8-16(13)23-18;1-4-23(20-22-15-9-5-6-11-17(15)27-20)18(24)13-25-16-10-7-8-14-12-21(2,3)26-19(14)16;1-19(2)10-12-6-5-8-14(17(12)24-19)23-11-16(22)21-18-20-13-7-3-4-9-15(13)25-18;;/h3-5,7-8,10H,6,9,11-12H2,1-2H3,(H,23,24,25);5-11H,4,12-13H2,1-3H3;3-9H,10-11H2,1-2H3,(H,20,21,22);2*1H
InChIKeyRFAZWUKWWUHCDQ-UHFFFAOYSA-N
MW1109.36 g/mol
LogP12.67
Rot. Bonds12

About N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen

N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen (PubChem CID 153359494) has the molecular formula C61H65FN6O9S2 and a molecular weight of 1109.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen
PubChem CID153359494
Molecular FormulaC61H65FN6O9S2
Molecular Weight1109.36 g/mol
Exact Mass1108.42
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen
SMILESCC1(C)Cc2cccc(OCC(=O)NC3=Nc4ccc(F)cc4CC3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccccc4s3)c2O1.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2ccccc2s1.[H][H].[H][H]
InChIInChI=1S/C21H21FN2O3.C21H22N2O3S.C19H18N2O3S.2H2/c1-21(2)11-14-4-3-5-17(20(14)27-21)26-12-19(25)24-18-9-6-13-10-15(22)7-8-16(13)23-18;1-4-23(20-22-15-9-5-6-11-17(15)27-20)18(24)13-25-16-10-7-8-14-12-21(2,3)26-19(14)16;1-19(2)10-12-6-5-8-14(17(12)24-19)23-11-16(22)21-18-20-13-7-3-4-9-15(13)25-18;;/h3-5,7-8,10H,6,9,11-12H2,1-2H3,(H,23,24,25);5-11H,4,12-13H2,1-3H3;3-9H,10-11H2,1-2H3,(H,20,21,22);2*1H
InChIKeyRFAZWUKWWUHCDQ-UHFFFAOYSA-N
XLogP12.67
TPSA172.03 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.36
LogP ≤ 512.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen with MolForge

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 4373378
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 5234785
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 56205339
2-[5-[2-acetyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methylphenoxy]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 118296727
2-[5-[2-acetyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methylphenoxy]-N-(5-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 118296734
N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 149824743
N-(4,5-difluoro-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 150340805
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 152135140
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 153359595
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 153359710
N-(1,3-benzothiazol-2-yl)-3-[2-[[2-[3-[2-[[2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-4-(1H-pyrrol-2-yl)-1,3-benzothiazol-6-yl]methyl]-2-methyl-3H-1-benzofuran-7-yl]propanoylamino]-4-fluoro-1,3-benzothiazol-6-yl]methyl]-2-methyl-3H-1-benzofuran-7-yl]propanamide
CID 153359739
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 167650133

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen (CID 153359494) is N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen is CC1(C)Cc2cccc(OCC(=O)NC3=Nc4ccc(F)cc4CC3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccccc4s3)c2O1.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2ccccc2s1.[H][H].[H][H].
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen?
The InChIKey is RFAZWUKWWUHCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3.C21H22N2O3S.C19H18N2O3S.2H2/c1-21(2)11-14-4-3-5-17(20(14)27-21)26-12-19(25)24-18-9-6-13-10-15(22)7-8-16(13)23-18;1-4-23(20-22-15-9-5-6-11-17(15)27-20)18(24)13-25-16-10-7-8-14-12-21(2,3)26-19(14)16;1-19(2)10-12-6-5-8-14(17(12)24-19)23-11-16(22)21-18-20-13-7-3-4-9-15(13)25-18;;/h3-5,7-8,10H,6,9,11-12H2,1-2H3,(H,23,24,25);5-11H,4,12-13H2,1-3H3;3-9H,10-11H2,1-2H3,(H,20,21,22);2*1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen?
N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen has a molecular weight of 1109.36 g/mol, XLogP of 12.67, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-fluoro-3,4-dihydroquinolin-2-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 153359494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).