2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide

C23H19N3O3S — CID 9378366

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C23H19N3O3S/c1-26(23-19-8-4-5-9-21(19)30(28,29)25-23)14-22(27)24-17-11-10-16-12-15-6-2-3-7-18(15)20(16)13-17/h2-11,13H,12,14H2,1H3,(H,24,27)
InChIKeyKLJDWBFCYVWNSW-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.28
Rot. Bonds3

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide (PubChem CID 9378366) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide
PubChem CID9378366
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C23H19N3O3S/c1-26(23-19-8-4-5-9-21(19)30(28,29)25-23)14-22(27)24-17-11-10-16-12-15-6-2-3-7-18(15)20(16)13-17/h2-11,13H,12,14H2,1H3,(H,24,27)
InChIKeyKLJDWBFCYVWNSW-UHFFFAOYSA-N
XLogP3.28
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide (CID 9378366) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide is CN(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide?
The InChIKey is KLJDWBFCYVWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-26(23-19-8-4-5-9-21(19)30(28,29)25-23)14-22(27)24-17-11-10-16-12-15-6-2-3-7-18(15)20(16)13-17/h2-11,13H,12,14H2,1H3,(H,24,27).
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide is sourced from PubChem (CID 9378366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).