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

C20H10N2O2S — CID 156870731

IUPAC10-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
SMILESO=c1c2ccccc2oc2nc3cc4c(cc3n12)sc1ccccc14
InChIInChI=1S/C20H10N2O2S/c23-19-12-6-1-3-7-16(12)24-20-21-14-9-13-11-5-2-4-8-17(11)25-18(13)10-15(14)22(19)20/h1-10H
InChIKeyDFOQUTIXCMIAHR-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.96
Rot. Bonds

About 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

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 (PubChem CID 156870731) has the molecular formula C20H10N2O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID156870731
Molecular FormulaC20H10N2O2S
Molecular Weight342.38 g/mol
Exact Mass342.05
IUPAC Name10-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
SMILESO=c1c2ccccc2oc2nc3cc4c(cc3n12)sc1ccccc14
InChIInChI=1S/C20H10N2O2S/c23-19-12-6-1-3-7-16(12)24-20-21-14-9-13-11-5-2-4-8-17(11)25-18(13)10-15(14)22(19)20/h1-10H
InChIKeyDFOQUTIXCMIAHR-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 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 with MolForge

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Related Compounds

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
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
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
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
CID 118503047
indolo[2,1-b][1,3]benzoxazin-12-one
CID 56963988
18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-22-phenyl-10-oxa-2,12,22-triazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),4,6,8,11,14,16(21),17,19,23-decaen-3-one
CID 156870598
20-oxa-27-thia-2,9-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene
CID 140956676
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454050
14-dibenzofuran-2-yl-26-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092535
4-oxa-33-thia-16,23-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27,29,31,34-hexadecaene
CID 140956443
3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723051
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2ccccc2oc2nc3cc4c(cc3n12)sc1ccccc14.
What is the InChIKey of 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?
The InChIKey is DFOQUTIXCMIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O2S/c23-19-12-6-1-3-7-16(12)24-20-21-14-9-13-11-5-2-4-8-17(11)25-18(13)10-15(14)22(19)20/h1-10H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 156870731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).