N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide

C20H23N3O4S2 — CID 73134667

About N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide

N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide (PubChem CID 73134667) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide.

Molecular Properties

• Compound Name: N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide
• PubChem CID: 73134667
• Molecular Formula: C20H23N3O4S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.11
• IUPAC Name: N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide
• SMILES: CSCC(=O)Nc1ccc2n(c1=O)CC1CC2CN(S(=O)(=O)c2ccccc2)C1
• InChI: InChI=1S/C20H23N3O4S2/c1-28-13-19(24)21-17-7-8-18-15-9-14(11-23(18)20(17)25)10-22(12-15)29(26,27)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3,(H,21,24)
• InChIKey: UDPOWJQWBUDPAU-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 88.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide?

The IUPAC name of N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide (CID 73134667) is N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide.

What is the SMILES notation for N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide?

The canonical SMILES for N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc2n(c1=O)CC1CC2CN(S(=O)(=O)c2ccccc2)C1.

What is the InChIKey of N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide?

The InChIKey is UDPOWJQWBUDPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-28-13-19(24)21-17-7-8-18-15-9-14(11-23(18)20(17)25)10-22(12-15)29(26,27)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3,(H,21,24).

What are the key properties of N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide?

N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide has a molecular weight of 433.56 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 73134667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).