N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide

C20H20N4O2S — CID 8001763

IUPACN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
SMILESCCc1cc2c(=O)n(NC(=O)CCCc3c[nH]c4ccccc34)cnc2s1
InChIInChI=1S/C20H20N4O2S/c1-2-14-10-16-19(27-14)22-12-24(20(16)26)23-18(25)9-5-6-13-11-21-17-8-4-3-7-15(13)17/h3-4,7-8,10-12,21H,2,5-6,9H2,1H3,(H,23,25)
InChIKeyZAZIRYGHUUCSQC-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.59
Rot. Bonds6

About N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide (PubChem CID 8001763) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
PubChem CID8001763
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
SMILESCCc1cc2c(=O)n(NC(=O)CCCc3c[nH]c4ccccc34)cnc2s1
InChIInChI=1S/C20H20N4O2S/c1-2-14-10-16-19(27-14)22-12-24(20(16)26)23-18(25)9-5-6-13-11-21-17-8-4-3-7-15(13)17/h3-4,7-8,10-12,21H,2,5-6,9H2,1H3,(H,23,25)
InChIKeyZAZIRYGHUUCSQC-UHFFFAOYSA-N
XLogP3.59
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide (CID 8001763) is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide is CCc1cc2c(=O)n(NC(=O)CCCc3c[nH]c4ccccc34)cnc2s1.
What is the InChIKey of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is ZAZIRYGHUUCSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-14-10-16-19(27-14)22-12-24(20(16)26)23-18(25)9-5-6-13-11-21-17-8-4-3-7-15(13)17/h3-4,7-8,10-12,21H,2,5-6,9H2,1H3,(H,23,25).
What are the key properties of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide?
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 380.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 8001763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).