3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide

C22H18N2O3S — CID 7455295

IUPAC3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c25-21(14-15-24-19-8-4-5-9-20(19)28-22(24)26)23-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,25)
InChIKeyKFEIVDHXAOEHIX-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.88
Rot. Bonds6

About 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide

3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 7455295) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID7455295
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c25-21(14-15-24-19-8-4-5-9-20(19)28-22(24)26)23-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,25)
InChIKeyKFEIVDHXAOEHIX-UHFFFAOYSA-N
XLogP4.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797
N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 3647299
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767803
N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767815
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7455270
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
N-[5-[3-(4-methylanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 17308314
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 6484074
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 6484292

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide (CID 7455295) is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide is O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is KFEIVDHXAOEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-21(14-15-24-19-8-4-5-9-20(19)28-22(24)26)23-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,25).
What are the key properties of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide?
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 390.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 7455295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).