N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

C21H24N4O5S — CID 42825627

IUPACN-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
SMILESCOCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1
InChIInChI=1S/C21H24N4O5S/c1-27-13-15-11-19(25-6-9-28-10-7-25)24-21(23-15)31-14-17-4-5-18(30-17)20(26)22-12-16-3-2-8-29-16/h2-5,8,11H,6-7,9-10,12-14H2,1H3,(H,22,26)
InChIKeyNJDKFEUKUUCYTA-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.87
Rot. Bonds9

About N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide (PubChem CID 42825627) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
PubChem CID42825627
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
SMILESCOCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1
InChIInChI=1S/C21H24N4O5S/c1-27-13-15-11-19(25-6-9-28-10-7-25)24-21(23-15)31-14-17-4-5-18(30-17)20(26)22-12-16-3-2-8-29-16/h2-5,8,11H,6-7,9-10,12-14H2,1H3,(H,22,26)
InChIKeyNJDKFEUKUUCYTA-UHFFFAOYSA-N
XLogP2.87
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42825615
5-[[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42825641
N-ethyl-5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
CID 42824142
5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 42824140
methyl 3-[[5-[[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]benzoate
CID 42680109
5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 42824177
N-(2-morpholin-4-ylethyl)-5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 83289833
4-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 46146078
5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42825146
N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200759
3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 42830374
N-(2-methoxyethyl)-4-[[4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide
CID 46146084

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide (CID 42825627) is N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide is COCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide?
The InChIKey is NJDKFEUKUUCYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-27-13-15-11-19(25-6-9-28-10-7-25)24-21(23-15)31-14-17-4-5-18(30-17)20(26)22-12-16-3-2-8-29-16/h2-5,8,11H,6-7,9-10,12-14H2,1H3,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 42825627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).