2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide

C20H16N4O2S — CID 7693255

IUPAC2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide
SMILESO=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1
InChIInChI=1S/C20H16N4O2S/c25-16(21-13-6-2-1-3-7-13)12-24-15-9-5-4-8-14(15)17-18(24)19(26)23-10-11-27-20(23)22-17/h1-9H,10-12H2,(H,21,25)
InChIKeyAIXDLRYQNFRDNM-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.10
Rot. Bonds3

About 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide

2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide (PubChem CID 7693255) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide
PubChem CID7693255
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide
SMILESO=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1
InChIInChI=1S/C20H16N4O2S/c25-16(21-13-6-2-1-3-7-13)12-24-15-9-5-4-8-14(15)17-18(24)19(26)23-10-11-27-20(23)22-17/h1-9H,10-12H2,(H,21,25)
InChIKeyAIXDLRYQNFRDNM-UHFFFAOYSA-N
XLogP3.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide?
The IUPAC name of 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide (CID 7693255) is 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide?
The canonical SMILES for 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide is O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1.
What is the InChIKey of 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide?
The InChIKey is AIXDLRYQNFRDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-16(21-13-6-2-1-3-7-13)12-24-15-9-5-4-8-14(15)17-18(24)19(26)23-10-11-27-20(23)22-17/h1-9H,10-12H2,(H,21,25).
What are the key properties of 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide?
2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide has a molecular weight of 376.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)-N-phenylacetamide is sourced from PubChem (CID 7693255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).