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

C19H26N4O2S2 — CID 8577841

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

N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 8577841) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide
• PubChem CID: 8577841
• Molecular Formula: C19H26N4O2S2
• Molecular Weight: 406.58 g/mol
• Exact Mass: 406.15
• IUPAC Name: N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide
• SMILES: CCNC(=O)CN(CC)C(=O)CSc1nc(C)nc2sc3c(c12)CCCC3
• InChI: InChI=1S/C19H26N4O2S2/c1-4-20-15(24)10-23(5-2)16(25)11-26-18-17-13-8-6-7-9-14(13)27-19(17)22-12(3)21-18/h4-11H2,1-3H3,(H,20,24)
• InChIKey: FFRTVGSUKZZJJS-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.58
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide (CID 8577841) is N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide.

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

The canonical SMILES for N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide is CCNC(=O)CN(CC)C(=O)CSc1nc(C)nc2sc3c(c12)CCCC3.

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

The InChIKey is FFRTVGSUKZZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-4-20-15(24)10-23(5-2)16(25)11-26-18-17-13-8-6-7-9-14(13)27-19(17)22-12(3)21-18/h4-11H2,1-3H3,(H,20,24).

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

N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 406.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[ethyl-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 8577841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).