N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

C23H20FN3O4S2 — CID 43947586

IUPACN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)sc2cc(F)ccc21
InChIInChI=1S/C23H20FN3O4S2/c1-3-12-27-20-11-8-17(24)14-21(20)32-23(27)25-22(28)16-6-9-19(10-7-16)33(29,30)26(2)15-18-5-4-13-31-18/h3-11,13-14H,1,12,15H2,2H3/b25-23-
InChIKeyKFEZDYSRAAZLLD-BZZOAKBMSA-N
MW485.56 g/mol
LogP4.18
Rot. Bonds7

About N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 43947586) has the molecular formula C23H20FN3O4S2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
PubChem CID43947586
Molecular FormulaC23H20FN3O4S2
Molecular Weight485.56 g/mol
Exact Mass485.09
IUPAC NameN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)sc2cc(F)ccc21
InChIInChI=1S/C23H20FN3O4S2/c1-3-12-27-20-11-8-17(24)14-21(20)32-23(27)25-22(28)16-6-9-19(10-7-16)33(29,30)26(2)15-18-5-4-13-31-18/h3-11,13-14H,1,12,15H2,2H3/b25-23-
InChIKeyKFEZDYSRAAZLLD-BZZOAKBMSA-N
XLogP4.18
TPSA84.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947585
ethyl 2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 3650493
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947598
4-[cyclopropyl(methyl)sulfamoyl]-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41364224
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947597
4-methylsulfonyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16799709
4-ethoxy-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4123905
4-(dimethylsulfamoyl)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984872
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 3657348
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 18572808
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947578
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40997299

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 43947586) is N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The InChIKey is KFEZDYSRAAZLLD-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H20FN3O4S2/c1-3-12-27-20-11-8-17(24)14-21(20)32-23(27)25-22(28)16-6-9-19(10-7-16)33(29,30)26(2)15-18-5-4-13-31-18/h3-11,13-14H,1,12,15H2,2H3/b25-23-.
What are the key properties of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 485.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 43947586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).