N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C23H19FN2O4S2 — CID 18581958

IUPACN-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1
InChIInChI=1S/C23H19FN2O4S2/c1-30-18-9-12-20-21(13-18)31-23(25-20)26(14-16-5-3-2-4-6-16)22(27)15-32(28,29)19-10-7-17(24)8-11-19/h2-13H,14-15H2,1H3
InChIKeyIDVZOBATHGMIPU-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.45
Rot. Bonds7

About N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 18581958) has the molecular formula C23H19FN2O4S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID18581958
Molecular FormulaC23H19FN2O4S2
Molecular Weight470.55 g/mol
Exact Mass470.08
IUPAC NameN-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1
InChIInChI=1S/C23H19FN2O4S2/c1-30-18-9-12-20-21(13-18)31-23(25-20)26(14-16-5-3-2-4-6-16)22(27)15-32(28,29)19-10-7-17(24)8-11-19/h2-13H,14-15H2,1H3
InChIKeyIDVZOBATHGMIPU-UHFFFAOYSA-N
XLogP4.45
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41323194
3-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 18581957
4-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 41273295
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 41322934
N-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44931880
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41274050
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324457
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41323176
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 41047136
3-(benzenesulfonyl)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 41110325

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 18581958) is N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IDVZOBATHGMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S2/c1-30-18-9-12-20-21(13-18)31-23(25-20)26(14-16-5-3-2-4-6-16)22(27)15-32(28,29)19-10-7-17(24)8-11-19/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 470.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 18581958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).