16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one

C20H10N2O2S — CID 156870596

IUPAC16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one
SMILESO=c1c2ccccc2oc2nc3ccc4sc5ccccc5c4c3n12
InChIInChI=1S/C20H10N2O2S/c23-19-11-5-1-3-7-14(11)24-20-21-13-9-10-16-17(18(13)22(19)20)12-6-2-4-8-15(12)25-16/h1-10H
InChIKeyLDNPUYRQJLGOHT-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.96
Rot. Bonds

About 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one

16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one (PubChem CID 156870596) has the molecular formula C20H10N2O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one.

Molecular Properties

Compound Name16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one
PubChem CID156870596
Molecular FormulaC20H10N2O2S
Molecular Weight342.38 g/mol
Exact Mass342.05
IUPAC Name16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one
SMILESO=c1c2ccccc2oc2nc3ccc4sc5ccccc5c4c3n12
InChIInChI=1S/C20H10N2O2S/c23-19-11-5-1-3-7-14(11)24-20-21-13-9-10-16-17(18(13)22(19)20)12-6-2-4-8-15(12)25-16/h1-10H
InChIKeyLDNPUYRQJLGOHT-UHFFFAOYSA-N
XLogP4.96
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one with MolForge

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Related Compounds

10-oxa-22-thia-2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),4,6,8,11,14,16,18,20,23-decaen-3-one
CID 156870731
6-(3,5-diphenylphenyl)-12-oxa-16-thia-3,10-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(13),4(9),5,7,10,14,17,19,21,23-decaen-2-one
CID 168742049
23-methyl-9-thia-14,21,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082026
12-([1]benzothiolo[2,3-g][1,3]benzothiazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 167453883
12-(4-dibenzofuran-4-ylquinazolin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 71291213
indolo[2,1-b][1,3]benzoxazin-12-one
CID 56963988
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
CID 170039344
N,N-di(dibenzofuran-4-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165024486
2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167453997
11-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
CID 123263687
10,16-dithia-2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaen-3-one
CID 156870697
3-phenyl-16-thia-3,14,24-triazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,17,19,21-decaen-23-one
CID 156870576

Frequently Asked Questions

What is the IUPAC name of 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one?
The IUPAC name of 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one (CID 156870596) is 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one.
What is the SMILES notation for 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one?
The canonical SMILES for 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one is O=c1c2ccccc2oc2nc3ccc4sc5ccccc5c4c3n12.
What is the InChIKey of 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one?
The InChIKey is LDNPUYRQJLGOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O2S/c23-19-11-5-1-3-7-14(11)24-20-21-13-9-10-16-17(18(13)22(19)20)12-6-2-4-8-15(12)25-16/h1-10H.
What are the key properties of 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one?
16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one has a molecular weight of 342.38 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxa-9-thia-14,24-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,17,19,21-decaen-23-one is sourced from PubChem (CID 156870596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).