N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide

C23H27N3O7S — CID 142986356

IUPACN-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)OCCS4(C)C)o2)c(OC)n1
InChIInChI=1S/C23H27N3O7S/c1-13-11-16-17(34(5,6)10-9-31-16)12-15(13)33-18-8-7-14(32-18)20(27)24-19-21(28-2)25-23(30-4)26-22(19)29-3/h7-8,11-12H,9-10H2,1-6H3,(H,24,27)
InChIKeyORWWRKKCXTZNHB-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.26
Rot. Bonds7

About N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide

N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide (PubChem CID 142986356) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide
PubChem CID142986356
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC NameN-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)OCCS4(C)C)o2)c(OC)n1
InChIInChI=1S/C23H27N3O7S/c1-13-11-16-17(34(5,6)10-9-31-16)12-15(13)33-18-8-7-14(32-18)20(27)24-19-21(28-2)25-23(30-4)26-22(19)29-3/h7-8,11-12H,9-10H2,1-6H3,(H,24,27)
InChIKeyORWWRKKCXTZNHB-UHFFFAOYSA-N
XLogP4.26
TPSA114.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide with MolForge

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Related Compounds

5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen
CID 142986345
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 166167909
5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane
CID 142192248
N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
CID 11620662
N-[2-[3-(dipropylamino)propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[5-[ethyl(dimethyl)-λ4-sulfanyl]-2-methylphenoxy]furan-2-carboxamide
CID 142986331
N-[2-[3-(dimethylamino)propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,6-trimethyl-3,4-dihydro-2H-1-benzosilin-7-yl)oxy]furan-2-carboxamide
CID 11330344
5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11329981
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide
CID 11341241
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
CID 58877589
N-[2-[3-[3-aminopropyl(methyl)amino]propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 170694663
N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
CID 11555984
N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
CID 10139658

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide?
The IUPAC name of N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide (CID 142986356) is N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide?
The canonical SMILES for N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide is COc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)OCCS4(C)C)o2)c(OC)n1.
What is the InChIKey of N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide?
The InChIKey is ORWWRKKCXTZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c1-13-11-16-17(34(5,6)10-9-31-16)12-15(13)33-18-8-7-14(32-18)20(27)24-19-21(28-2)25-23(30-4)26-22(19)29-3/h7-8,11-12H,9-10H2,1-6H3,(H,24,27).
What are the key properties of N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide?
N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethoxypyrimidin-5-yl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4λ4-benzoxathiin-6-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 142986356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).