N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide

C24H23N3O4S2 — CID 2152656

IUPACN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)n2C
InChIInChI=1S/C24H23N3O4S2/c1-4-31-19-12-15-21-22(16-19)32-24(26(21)2)25-23(28)17-10-13-20(14-11-17)33(29,30)27(3)18-8-6-5-7-9-18/h5-16H,4H2,1-3H3/b25-24-
InChIKeyARMRFRGYQHLNNR-IZHYLOQSSA-N
MW481.60 g/mol
LogP4.20
Rot. Bonds6

About N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2152656) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2152656
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)n2C
InChIInChI=1S/C24H23N3O4S2/c1-4-31-19-12-15-21-22(16-19)32-24(26(21)2)25-23(28)17-10-13-20(14-11-17)33(29,30)27(3)18-8-6-5-7-9-18/h5-16H,4H2,1-3H3/b25-24-
InChIKeyARMRFRGYQHLNNR-IZHYLOQSSA-N
XLogP4.20
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[6-ethoxy-2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 5067551
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3689180
4-[(4-chlorophenyl)sulfonylamino]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121044724
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 40888516
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235714
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide
CID 42523030
4-[cyclopropyl(methyl)sulfamoyl]-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41364418
ethyl 2-[2-[4-[butyl(methyl)sulfamoyl]benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate
CID 4219215
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043155

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2152656) is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide is CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)n2C.
What is the InChIKey of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is ARMRFRGYQHLNNR-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-4-31-19-12-15-21-22(16-19)32-24(26(21)2)25-23(28)17-10-13-20(14-11-17)33(29,30)27(3)18-8-6-5-7-9-18/h5-16H,4H2,1-3H3/b25-24-.
What are the key properties of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2152656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).