2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C23H24ClF2N3O3S — CID 43997183

IUPAC2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C23H24ClF2N3O3S/c1-23(2,32-17-5-3-15(24)4-6-17)21(30)29(8-7-28-9-11-31-12-10-28)22-27-20-18(26)13-16(25)14-19(20)33-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyQIJOBHIZUXYBBN-UHFFFAOYSA-N
MW495.98 g/mol
LogP4.75
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 43997183) has the molecular formula C23H24ClF2N3O3S and a molecular weight of 495.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID43997183
Molecular FormulaC23H24ClF2N3O3S
Molecular Weight495.98 g/mol
Exact Mass495.12
IUPAC Name2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C23H24ClF2N3O3S/c1-23(2,32-17-5-3-15(24)4-6-17)21(30)29(8-7-28-9-11-31-12-10-28)22-27-20-18(26)13-16(25)14-19(20)33-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyQIJOBHIZUXYBBN-UHFFFAOYSA-N
XLogP4.75
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.98
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29138221
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 29159504
2,5-dichloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071851
2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43960623
5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 44933600
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 18583302
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 44900415
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 18583351
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 29138247
2-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935945
(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide;hydrochloride
CID 44933594
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-pentoxybenzamide
CID 43999271

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 43997183) is 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is QIJOBHIZUXYBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N3O3S/c1-23(2,32-17-5-3-15(24)4-6-17)21(30)29(8-7-28-9-11-31-12-10-28)22-27-20-18(26)13-16(25)14-19(20)33-22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 495.98 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 43997183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).