N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C24H30FN3O3S2 — CID 16838594

IUPACN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCCN(CC)CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C24H30FN3O3S2/c1-5-27(6-2)13-14-28(24-26-21-12-9-19(25)16-22(21)32-24)23(29)15-18-7-10-20(11-8-18)33(30,31)17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKeyOYFMZQYJLAXCKT-UHFFFAOYSA-N
MW491.65 g/mol
LogP4.53
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16838594) has the molecular formula C24H30FN3O3S2 and a molecular weight of 491.65 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16838594
Molecular FormulaC24H30FN3O3S2
Molecular Weight491.65 g/mol
Exact Mass491.17
IUPAC NameN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCCN(CC)CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C24H30FN3O3S2/c1-5-27(6-2)13-14-28(24-26-21-12-9-19(25)16-22(21)32-24)23(29)15-18-7-10-20(11-8-18)33(30,31)17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKeyOYFMZQYJLAXCKT-UHFFFAOYSA-N
XLogP4.53
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.65
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838606
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 8670579
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7511319
N-[2-(diethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 44947463
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41272939
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839140
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide;hydrochloride
CID 44991283
3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethylazanium
CID 8670596
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16838402
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 16808282
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
CID 16808541
N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44925386

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16838594) is N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CCN(CC)CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is OYFMZQYJLAXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S2/c1-5-27(6-2)13-14-28(24-26-21-12-9-19(25)16-22(21)32-24)23(29)15-18-7-10-20(11-8-18)33(30,31)17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 491.65 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16838594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).