N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide

C18H17FN2O4S2 — CID 16799560

IUPACN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
SMILESCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cccc(OC)c21
InChIInChI=1S/C18H17FN2O4S2/c1-3-21-17-14(25-2)5-4-6-15(17)26-18(21)20-16(22)11-27(23,24)13-9-7-12(19)8-10-13/h4-10H,3,11H2,1-2H3/b20-18-
InChIKeyISVNQWNRGROAHJ-ZZEZOPTASA-N
MW408.48 g/mol
LogP2.77
Rot. Bonds5

About N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide

N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 16799560) has the molecular formula C18H17FN2O4S2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID16799560
Molecular FormulaC18H17FN2O4S2
Molecular Weight408.48 g/mol
Exact Mass408.06
IUPAC NameN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
SMILESCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cccc(OC)c21
InChIInChI=1S/C18H17FN2O4S2/c1-3-21-17-14(25-2)5-4-6-15(17)26-18(21)20-16(22)11-27(23,24)13-9-7-12(19)8-10-13/h4-10H,3,11H2,1-2H3/b20-18-
InChIKeyISVNQWNRGROAHJ-ZZEZOPTASA-N
XLogP2.77
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonyl)-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7541367
3-(4-fluorophenyl)sulfonyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 18573209
3-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153853
(NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937383
2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 16912578
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848266
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41049583
ethyl 2-[2-[2-(4-fluorophenyl)sulfonylacetyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102528
4-[butyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 2155563
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 4990819
N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7524950
N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 41149193

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide (CID 16799560) is N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide is CCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cccc(OC)c21.
What is the InChIKey of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is ISVNQWNRGROAHJ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2O4S2/c1-3-21-17-14(25-2)5-4-6-15(17)26-18(21)20-16(22)11-27(23,24)13-9-7-12(19)8-10-13/h4-10H,3,11H2,1-2H3/b20-18-.
What are the key properties of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 408.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 16799560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).