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

C18H24N4O3S — CID 8573497

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

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 8573497) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
• PubChem CID: 8573497
• Molecular Formula: C18H24N4O3S
• Molecular Weight: 376.48 g/mol
• Exact Mass: 376.16
• IUPAC Name: N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
• SMILES: CCNC(=O)CN(CC)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3
• InChI: InChI=1S/C18H24N4O3S/c1-3-19-14(23)9-21(4-2)15(24)10-22-11-20-17-16(18(22)25)12-7-5-6-8-13(12)26-17/h11H,3-10H2,1-2H3,(H,19,23)
• InChIKey: GEGLTYJGJRNGEZ-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.48
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide (CID 8573497) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide.

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

The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide is CCNC(=O)CN(CC)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3.

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

The InChIKey is GEGLTYJGJRNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-19-14(23)9-21(4-2)15(24)10-22-11-20-17-16(18(22)25)12-7-5-6-8-13(12)26-17/h11H,3-10H2,1-2H3,(H,19,23).

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

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 8573497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).