17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione

C24H11N3O3S — CID 71113735

IUPAC17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
SMILESO=C1c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c2c34)C(=O)N1c1cccs1
InChIInChI=1S/C24H11N3O3S/c28-22-13-9-10-15-20-14(23(29)27(24(15)30)18-6-3-11-31-18)8-7-12(19(13)20)21-25-16-4-1-2-5-17(16)26(21)22/h1-11H
InChIKeyRAHGNSJQLAMFMQ-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.45
Rot. Bonds1

About 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione

17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione (PubChem CID 71113735) has the molecular formula C24H11N3O3S and a molecular weight of 421.44 g/mol. Its IUPAC name is 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione.

Molecular Properties

Compound Name17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
PubChem CID71113735
Molecular FormulaC24H11N3O3S
Molecular Weight421.44 g/mol
Exact Mass421.05
IUPAC Name17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
SMILESO=C1c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c2c34)C(=O)N1c1cccs1
InChIInChI=1S/C24H11N3O3S/c28-22-13-9-10-15-20-14(23(29)27(24(15)30)18-6-3-11-31-18)8-7-12(19(13)20)21-25-16-4-1-2-5-17(16)26(21)22/h1-11H
InChIKeyRAHGNSJQLAMFMQ-UHFFFAOYSA-N
XLogP4.45
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione?
The IUPAC name of 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione (CID 71113735) is 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione.
What is the SMILES notation for 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione?
The canonical SMILES for 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione is O=C1c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c2c34)C(=O)N1c1cccs1.
What is the InChIKey of 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione?
The InChIKey is RAHGNSJQLAMFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11N3O3S/c28-22-13-9-10-15-20-14(23(29)27(24(15)30)18-6-3-11-31-18)8-7-12(19(13)20)21-25-16-4-1-2-5-17(16)26(21)22/h1-11H.
What are the key properties of 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione?
17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione has a molecular weight of 421.44 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-thiophen-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione is sourced from PubChem (CID 71113735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).