N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

C20H20N4O2S2 — CID 56762295

About N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide (PubChem CID 56762295) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
• PubChem CID: 56762295
• Molecular Formula: C20H20N4O2S2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.10
• IUPAC Name: N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
• SMILES: CC(C)c1cc2c(=O)[nH]c(CSCC(=O)Nc3cccc4[nH]ccc34)nc2s1
• InChI: InChI=1S/C20H20N4O2S2/c1-11(2)16-8-13-19(26)23-17(24-20(13)28-16)9-27-10-18(25)22-15-5-3-4-14-12(15)6-7-21-14/h3-8,11,21H,9-10H2,1-2H3,(H,22,25)(H,23,24,26)
• InChIKey: LHKJNASJKPNUPI-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 90.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?

The IUPAC name of N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide (CID 56762295) is N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide.

What is the SMILES notation for N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?

The canonical SMILES for N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide is CC(C)c1cc2c(=O)[nH]c(CSCC(=O)Nc3cccc4[nH]ccc34)nc2s1.

What is the InChIKey of N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?

The InChIKey is LHKJNASJKPNUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-11(2)16-8-13-19(26)23-17(24-20(13)28-16)9-27-10-18(25)22-15-5-3-4-14-12(15)6-7-21-14/h3-8,11,21H,9-10H2,1-2H3,(H,22,25)(H,23,24,26).

What are the key properties of N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?

N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indol-4-yl)-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 56762295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).