N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide

C19H28N4O2S — CID 78795287

About N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide

N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide (PubChem CID 78795287) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide
• PubChem CID: 78795287
• Molecular Formula: C19H28N4O2S
• Molecular Weight: 376.53 g/mol
• Exact Mass: 376.19
• IUPAC Name: N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide
• SMILES: CCNC(=O)CN(CC)C(C)c1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3
• InChI: InChI=1S/C19H28N4O2S/c1-5-20-15(24)10-23(6-2)12(4)17-21-18(25)16-13-8-7-11(3)9-14(13)26-19(16)22-17/h11-12H,5-10H2,1-4H3,(H,20,24)(H,21,22,25)
• InChIKey: ZIIIVKUWGODSFU-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.53
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

The IUPAC name of N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide (CID 78795287) is N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide.

What is the SMILES notation for N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

The canonical SMILES for N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide is CCNC(=O)CN(CC)C(C)c1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3.

What is the InChIKey of N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

The InChIKey is ZIIIVKUWGODSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-5-20-15(24)10-23(6-2)12(4)17-21-18(25)16-13-8-7-11(3)9-14(13)26-19(16)22-17/h11-12H,5-10H2,1-4H3,(H,20,24)(H,21,22,25).

What are the key properties of N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide has a molecular weight of 376.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[ethyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 78795287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).