6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide

C24H30N4O4S — CID 12004607

IUPAC6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(CCCCCC(=O)Nc2ccccc2)c(=O)c2sccc21
InChIInChI=1S/C24H30N4O4S/c1-3-26(4-2)21(30)17-28-19-14-16-33-22(19)23(31)27(24(28)32)15-10-6-9-13-20(29)25-18-11-7-5-8-12-18/h5,7-8,11-12,14,16H,3-4,6,9-10,13,15,17H2,1-2H3,(H,25,29)
InChIKeyQVNCSPQLVMTXPA-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.29
Rot. Bonds11

About 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide

6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide (PubChem CID 12004607) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide.

Molecular Properties

Compound Name6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide
PubChem CID12004607
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(CCCCCC(=O)Nc2ccccc2)c(=O)c2sccc21
InChIInChI=1S/C24H30N4O4S/c1-3-26(4-2)21(30)17-28-19-14-16-33-22(19)23(31)27(24(28)32)15-10-6-9-13-20(29)25-18-11-7-5-8-12-18/h5,7-8,11-12,14,16H,3-4,6,9-10,13,15,17H2,1-2H3,(H,25,29)
InChIKeyQVNCSPQLVMTXPA-UHFFFAOYSA-N
XLogP3.29
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide?
The IUPAC name of 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide (CID 12004607) is 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide.
What is the SMILES notation for 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide?
The canonical SMILES for 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide is CCN(CC)C(=O)Cn1c(=O)n(CCCCCC(=O)Nc2ccccc2)c(=O)c2sccc21.
What is the InChIKey of 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide?
The InChIKey is QVNCSPQLVMTXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-26(4-2)21(30)17-28-19-14-16-33-22(19)23(31)27(24(28)32)15-10-6-9-13-20(29)25-18-11-7-5-8-12-18/h5,7-8,11-12,14,16H,3-4,6,9-10,13,15,17H2,1-2H3,(H,25,29).
What are the key properties of 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide?
6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide has a molecular weight of 470.60 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-phenylhexanamide is sourced from PubChem (CID 12004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).