2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide

C24H24N4O4S — CID 665698

IUPAC2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide
SMILES[H]/N=c1/c2c3c(sc2n(CC(=O)Nc2ccccc2)c(=O)n1Cc1ccco1)COC(C)(C)C3
InChIInChI=1S/C24H24N4O4S/c1-24(2)11-17-18(14-32-24)33-22-20(17)21(25)27(12-16-9-6-10-31-16)23(30)28(22)13-19(29)26-15-7-4-3-5-8-15/h3-10,25H,11-14H2,1-2H3,(H,26,29)/b25-21-
InChIKeyGHVVXYUMOHKPEU-DAFNUICNSA-N
MW464.55 g/mol
LogP3.48
Rot. Bonds5

About 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide

2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide (PubChem CID 665698) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide
PubChem CID665698
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide
SMILES[H]/N=c1/c2c3c(sc2n(CC(=O)Nc2ccccc2)c(=O)n1Cc1ccco1)COC(C)(C)C3
InChIInChI=1S/C24H24N4O4S/c1-24(2)11-17-18(14-32-24)33-22-20(17)21(25)27(12-16-9-6-10-31-16)23(30)28(22)13-19(29)26-15-7-4-3-5-8-15/h3-10,25H,11-14H2,1-2H3,(H,26,29)/b25-21-
InChIKeyGHVVXYUMOHKPEU-DAFNUICNSA-N
XLogP3.48
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide (CID 665698) is 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide is [H]/N=c1/c2c3c(sc2n(CC(=O)Nc2ccccc2)c(=O)n1Cc1ccco1)COC(C)(C)C3.
What is the InChIKey of 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide?
The InChIKey is GHVVXYUMOHKPEU-DAFNUICNSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-24(2)11-17-18(14-32-24)33-22-20(17)21(25)27(12-16-9-6-10-31-16)23(30)28(22)13-19(29)26-15-7-4-3-5-8-15/h3-10,25H,11-14H2,1-2H3,(H,26,29)/b25-21-.
What are the key properties of 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide?
2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide has a molecular weight of 464.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide is sourced from PubChem (CID 665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).