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

C20H23N3O2S2 — CID 8577830

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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 8577830) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
• PubChem CID: 8577830
• Molecular Formula: C20H23N3O2S2
• Molecular Weight: 401.56 g/mol
• Exact Mass: 401.12
• IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
• SMILES: Cc1nc(SCC(=O)N(C)Cc2ccc(C)o2)c2c3c(sc2n1)CCCC3
• InChI: InChI=1S/C20H23N3O2S2/c1-12-8-9-14(25-12)10-23(3)17(24)11-26-19-18-15-6-4-5-7-16(15)27-20(18)22-13(2)21-19/h8-9H,4-7,10-11H2,1-3H3
• InChIKey: QYANYNVPRCBXCZ-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.56
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 8577830) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)N(C)Cc2ccc(C)o2)c2c3c(sc2n1)CCCC3.

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

The InChIKey is QYANYNVPRCBXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-12-8-9-14(25-12)10-23(3)17(24)11-26-19-18-15-6-4-5-7-16(15)27-20(18)22-13(2)21-19/h8-9H,4-7,10-11H2,1-3H3.

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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 401.56 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 8577830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).