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

C23H20N2O2S — CID 41235422

IUPAC3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1
InChIInChI=1S/C23H20N2O2S/c1-15(2)16-11-12-20-21(14-16)28-23(24-20)25-22(26)17-7-6-10-19(13-17)27-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,24,25,26)
InChIKeyYHDRWSRDKQVLPQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.46
Rot. Bonds5

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

3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41235422) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41235422
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1
InChIInChI=1S/C23H20N2O2S/c1-15(2)16-11-12-20-21(14-16)28-23(24-20)25-22(26)17-7-6-10-19(13-17)27-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,24,25,26)
InChIKeyYHDRWSRDKQVLPQ-UHFFFAOYSA-N
XLogP6.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247160
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 41235422) is 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CC(C)c1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1.
What is the InChIKey of 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YHDRWSRDKQVLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15(2)16-11-12-20-21(14-16)28-23(24-20)25-22(26)17-7-6-10-19(13-17)27-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,24,25,26).
What are the key properties of 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41235422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).