N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide

C22H17N3O3S — CID 4063508

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1
InChIInChI=1S/C22H17N3O3S/c1-14(26)23-15-11-12-18-20(13-15)29-22(24-18)25-21(27)17-9-5-6-10-19(17)28-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyTXKYFBGNHFLYTF-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.30
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (PubChem CID 4063508) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
PubChem CID4063508
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1
InChIInChI=1S/C22H17N3O3S/c1-14(26)23-15-11-12-18-20(13-15)29-22(24-18)25-21(27)17-9-5-6-10-19(17)28-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyTXKYFBGNHFLYTF-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-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4113143
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (CID 4063508) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The InChIKey is TXKYFBGNHFLYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-14(26)23-15-11-12-18-20(13-15)29-22(24-18)25-21(27)17-9-5-6-10-19(17)28-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide 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 N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is sourced from PubChem (CID 4063508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).