3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide

C24H24N4O5S — CID 3241057

IUPAC3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21
InChIInChI=1S/C24H24N4O5S/c1-15-5-3-6-16(2)21(15)26-20(30)14-28-18-9-12-34-22(18)23(31)27(24(28)32)10-8-19(29)25-13-17-7-4-11-33-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJQRWUBXCMXVIMT-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.78
Rot. Bonds8

About 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide

3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 3241057) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID3241057
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21
InChIInChI=1S/C24H24N4O5S/c1-15-5-3-6-16(2)21(15)26-20(30)14-28-18-9-12-34-22(18)23(31)27(24(28)32)10-8-19(29)25-13-17-7-4-11-33-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJQRWUBXCMXVIMT-UHFFFAOYSA-N
XLogP2.78
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 3241057) is 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide is Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21.
What is the InChIKey of 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is JQRWUBXCMXVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-15-5-3-6-16(2)21(15)26-20(30)14-28-18-9-12-34-22(18)23(31)27(24(28)32)10-8-19(29)25-13-17-7-4-11-33-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 480.55 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3241057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).