N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide

C28H28FN3O2S — CID 43997322

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C28H28FN3O2S/c29-24-12-7-13-25-27(24)30-28(35-25)32(15-14-31-16-18-34-19-17-31)26(33)20-23(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,23H,14-20H2
InChIKeyXVQRKKYSLIFJAN-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.32
Rot. Bonds8

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide (PubChem CID 43997322) has the molecular formula C28H28FN3O2S and a molecular weight of 489.62 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide
PubChem CID43997322
Molecular FormulaC28H28FN3O2S
Molecular Weight489.62 g/mol
Exact Mass489.19
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C28H28FN3O2S/c29-24-12-7-13-25-27(24)30-28(35-25)32(15-14-31-16-18-34-19-17-31)26(33)20-23(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,23H,14-20H2
InChIKeyXVQRKKYSLIFJAN-UHFFFAOYSA-N
XLogP5.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 44900236
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161
2-(benzenesulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18581704
2-(4-ethoxyphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997637
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29069809
5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583130
3-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319351
5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 18583127
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 43997008

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide (CID 43997322) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide?
The InChIKey is XVQRKKYSLIFJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2S/c29-24-12-7-13-25-27(24)30-28(35-25)32(15-14-31-16-18-34-19-17-31)26(33)20-23(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,23H,14-20H2.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide has a molecular weight of 489.62 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 43997322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).