N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

C23H17N3O3S — CID 24512544

IUPACN-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc4ccccc4c3c2)sc2nc3n(c(=O)c12)CCC3
InChIInChI=1S/C23H17N3O3S/c1-12-19-22(25-18-7-4-10-26(18)23(19)28)30-20(12)21(27)24-13-8-9-17-15(11-13)14-5-2-3-6-16(14)29-17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,27)
InChIKeyXAPBPZOHAQXZSZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.86
Rot. Bonds2

About N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide (PubChem CID 24512544) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
PubChem CID24512544
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc4ccccc4c3c2)sc2nc3n(c(=O)c12)CCC3
InChIInChI=1S/C23H17N3O3S/c1-12-19-22(25-18-7-4-10-26(18)23(19)28)30-20(12)21(27)24-13-8-9-17-15(11-13)14-5-2-3-6-16(14)29-17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,27)
InChIKeyXAPBPZOHAQXZSZ-UHFFFAOYSA-N
XLogP4.86
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
The IUPAC name of N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide (CID 24512544) is N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide.
What is the SMILES notation for N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
The canonical SMILES for N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide is Cc1c(C(=O)Nc2ccc3oc4ccccc4c3c2)sc2nc3n(c(=O)c12)CCC3.
What is the InChIKey of N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
The InChIKey is XAPBPZOHAQXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-12-19-22(25-18-7-4-10-26(18)23(19)28)30-20(12)21(27)24-13-8-9-17-15(11-13)14-5-2-3-6-16(14)29-17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,27).
What are the key properties of N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 24512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).