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

C19H26N4O3S — CID 51198386

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

4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (PubChem CID 51198386) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-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-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• PubChem CID: 51198386
• Molecular Formula: C19H26N4O3S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.17
• IUPAC Name: 4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• SMILES: CCCNC(=O)C(C)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3
• InChI: InChI=1S/C19H26N4O3S/c1-4-9-20-16(24)12(3)21-17(25)15-11(2)14-18(27-15)22-13-8-6-5-7-10-23(13)19(14)26/h12H,4-10H2,1-3H3,(H,20,24)(H,21,25)
• InChIKey: QTUGHQRQYSFOCN-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-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-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (CID 51198386) is 4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-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-oxo-1-(propylamino)propan-2-yl]-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-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is CCCNC(=O)C(C)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3.

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

The InChIKey is QTUGHQRQYSFOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-9-20-16(24)12(3)21-17(25)15-11(2)14-18(27-15)22-13-8-6-5-7-10-23(13)19(14)26/h12H,4-10H2,1-3H3,(H,20,24)(H,21,25).

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

4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 51198386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).