N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide

C19H20FN3O4S2 — CID 16937867

IUPACN-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide
SMILESCCOCCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C19H20FN3O4S2/c1-3-27-11-10-23-17-9-6-15(21-13(2)24)12-18(17)28-19(23)22-29(25,26)16-7-4-14(20)5-8-16/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)/b22-19-
InChIKeyHYZPFAZVPOEMDL-QOCHGBHMSA-N
MW437.52 g/mol
LogP3.13
Rot. Bonds7

About N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide

N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide (PubChem CID 16937867) has the molecular formula C19H20FN3O4S2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide
PubChem CID16937867
Molecular FormulaC19H20FN3O4S2
Molecular Weight437.52 g/mol
Exact Mass437.09
IUPAC NameN-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide
SMILESCCOCCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C19H20FN3O4S2/c1-3-27-11-10-23-17-9-6-15(21-13(2)24)12-18(17)28-19(23)22-29(25,26)16-7-4-14(20)5-8-16/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)/b22-19-
InChIKeyHYZPFAZVPOEMDL-QOCHGBHMSA-N
XLogP3.13
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-ethoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide
CID 40849546
N-[2-(benzenesulfonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazol-6-yl]acetamide
CID 40849357
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044537
N-[2-(5-chlorothiophen-2-yl)sulfonylimino-3-(2-ethoxyethyl)-1,3-benzothiazol-6-yl]acetamide
CID 40892568
N-[3-(2-methoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide
CID 40849532
(NZ)-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 16937965
(NZ)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937019
4-chloro-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892013
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 25408098
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-acetylbenzamide
CID 3624212
methyl 4-[[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 3639416
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dipropylsulfamoyl)benzamide
CID 3456234

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide (CID 16937867) is N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide is CCOCCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is HYZPFAZVPOEMDL-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H20FN3O4S2/c1-3-27-11-10-23-17-9-6-15(21-13(2)24)12-18(17)28-19(23)22-29(25,26)16-7-4-14(20)5-8-16/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)/b22-19-.
What are the key properties of N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide?
N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 16937867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).