2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide

C17H15N3O3S — CID 53369756

IUPAC2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide
SMILESCn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCc1ccccc1-3
InChIInChI=1S/C17H15N3O3S/c1-19-15(22)14-13-10-5-3-2-4-9(10)6-7-11(13)24-16(14)20(17(19)23)8-12(18)21/h2-5H,6-8H2,1H3,(H2,18,21)
InChIKeySXBBDCWPXRUTEH-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.01
Rot. Bonds2

About 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide

2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide (PubChem CID 53369756) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide.

Molecular Properties

Compound Name2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide
PubChem CID53369756
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide
SMILESCn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCc1ccccc1-3
InChIInChI=1S/C17H15N3O3S/c1-19-15(22)14-13-10-5-3-2-4-9(10)6-7-11(13)24-16(14)20(17(19)23)8-12(18)21/h2-5H,6-8H2,1H3,(H2,18,21)
InChIKeySXBBDCWPXRUTEH-UHFFFAOYSA-N
XLogP1.01
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide?
The IUPAC name of 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide (CID 53369756) is 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide.
What is the SMILES notation for 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide?
The canonical SMILES for 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide is Cn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCc1ccccc1-3.
What is the InChIKey of 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide?
The InChIKey is SXBBDCWPXRUTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-19-15(22)14-13-10-5-3-2-4-9(10)6-7-11(13)24-16(14)20(17(19)23)8-12(18)21/h2-5H,6-8H2,1H3,(H2,18,21).
What are the key properties of 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide?
2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-methyl-14,16-dioxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17)-pentaen-13-yl)acetamide is sourced from PubChem (CID 53369756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).