4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

C24H27N3O2S — CID 24614572

About 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (PubChem CID 24614572) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• PubChem CID: 24614572
• Molecular Formula: C24H27N3O2S
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.18
• IUPAC Name: 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• SMILES: Cc1c(C(=O)NCC2(c3ccccc3)CCC2)sc2nc3n(c(=O)c12)CCCCC3
• InChI: InChI=1S/C24H27N3O2S/c1-16-19-22(26-18-11-6-3-7-14-27(18)23(19)29)30-20(16)21(28)25-15-24(12-8-13-24)17-9-4-2-5-10-17/h2,4-5,9-10H,3,6-8,11-15H2,1H3,(H,25,28)
• InChIKey: SHOLWEYVNZROLA-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

The IUPAC name of 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (CID 24614572) is 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

What is the SMILES notation for 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

The canonical SMILES for 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is Cc1c(C(=O)NCC2(c3ccccc3)CCC2)sc2nc3n(c(=O)c12)CCCCC3.

What is the InChIKey of 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

The InChIKey is SHOLWEYVNZROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-16-19-22(26-18-11-6-3-7-14-27(18)23(19)29)30-20(16)21(28)25-15-24(12-8-13-24)17-9-4-2-5-10-17/h2,4-5,9-10H,3,6-8,11-15H2,1H3,(H,25,28).

What are the key properties of 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 24614572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).