N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H20N4O3S — CID 24539050

IUPACN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCc1cc2c(=O)n(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cnc2s1
InChIInChI=1S/C20H20N4O3S/c1-2-15-11-16-19(28-15)21-12-24(20(16)27)22-17(25)10-13-5-7-14(8-6-13)23-9-3-4-18(23)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)
InChIKeyMPIGZBQPPMIOCN-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.46
Rot. Bonds5

About N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 24539050) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID24539050
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCc1cc2c(=O)n(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cnc2s1
InChIInChI=1S/C20H20N4O3S/c1-2-15-11-16-19(28-15)21-12-24(20(16)27)22-17(25)10-13-5-7-14(8-6-13)23-9-3-4-18(23)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)
InChIKeyMPIGZBQPPMIOCN-UHFFFAOYSA-N
XLogP2.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 24539050) is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCc1cc2c(=O)n(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cnc2s1.
What is the InChIKey of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is MPIGZBQPPMIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-15-11-16-19(28-15)21-12-24(20(16)27)22-17(25)10-13-5-7-14(8-6-13)23-9-3-4-18(23)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25).
What are the key properties of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24539050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).