N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide

C23H18N2O3S — CID 100553668

IUPACN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
InChIInChI=1S/C23H18N2O3S/c1-13(2)25-18-9-8-15(11-21(18)29-23(25)27)24-22(26)20-12-17-16-6-4-3-5-14(16)7-10-19(17)28-20/h3-13H,1-2H3,(H,24,26)
InChIKeyWFGNYSGLKZSYBH-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.80
Rot. Bonds3

About N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide

N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide (PubChem CID 100553668) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide
PubChem CID100553668
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
InChIInChI=1S/C23H18N2O3S/c1-13(2)25-18-9-8-15(11-21(18)29-23(25)27)24-22(26)20-12-17-16-6-4-3-5-14(16)7-10-19(17)28-20/h3-13H,1-2H3,(H,24,26)
InChIKeyWFGNYSGLKZSYBH-UHFFFAOYSA-N
XLogP5.80
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide (CID 100553668) is N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide is CC(C)n1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21.
What is the InChIKey of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is WFGNYSGLKZSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-13(2)25-18-9-8-15(11-21(18)29-23(25)27)24-22(26)20-12-17-16-6-4-3-5-14(16)7-10-19(17)28-20/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide?
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 100553668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).