4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide

C22H17N3O3S — CID 8749066

IUPAC4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1
InChIInChI=1S/C22H17N3O3S/c1-14(26)23-16-9-7-15(8-10-16)21(27)25-22-24-19-12-11-18(13-20(19)29-22)28-17-5-3-2-4-6-17/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyDYQLKTYMKSJOOT-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.30
Rot. Bonds5

About 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide

4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 8749066) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID8749066
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1
InChIInChI=1S/C22H17N3O3S/c1-14(26)23-16-9-7-15(8-10-16)21(27)25-22-24-19-12-11-18(13-20(19)29-22)28-17-5-3-2-4-6-17/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyDYQLKTYMKSJOOT-UHFFFAOYSA-N
XLogP5.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
3-methyl-4-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948430
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide (CID 8749066) is 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1.
What is the InChIKey of 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DYQLKTYMKSJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-14(26)23-16-9-7-15(8-10-16)21(27)25-22-24-19-12-11-18(13-20(19)29-22)28-17-5-3-2-4-6-17/h2-13H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 403.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 8749066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).