N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide

C24H23N3O3S2 — CID 40962585

IUPACN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)n2C
InChIInChI=1S/C24H23N3O3S2/c1-4-17-11-14-21-22(15-17)31-24(27(21)3)25-23(28)19-7-5-6-8-20(19)26-32(29,30)18-12-9-16(2)10-13-18/h5-15,26H,4H2,1-3H3/b25-24-
InChIKeyQQIMQYKNINJLIS-IZHYLOQSSA-N
MW465.60 g/mol
LogP4.65
Rot. Bonds5

About N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide

N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 40962585) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID40962585
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC NameN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)n2C
InChIInChI=1S/C24H23N3O3S2/c1-4-17-11-14-21-22(15-17)31-24(27(21)3)25-23(28)19-7-5-6-8-20(19)26-32(29,30)18-12-9-16(2)10-13-18/h5-15,26H,4H2,1-3H3/b25-24-
InChIKeyQQIMQYKNINJLIS-IZHYLOQSSA-N
XLogP4.65
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-methoxyethyl)-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazole-6-carboxylate
CID 4113944
N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 41004542
4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043819
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4671212
ethyl 2-[6-methoxy-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 3438606
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044614
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 40996459
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 43938845
N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 43979952
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 40886087
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 40886670
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 40996574

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 40962585) is N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide is CCc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)n2C.
What is the InChIKey of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is QQIMQYKNINJLIS-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-4-17-11-14-21-22(15-17)31-24(27(21)3)25-23(28)19-7-5-6-8-20(19)26-32(29,30)18-12-9-16(2)10-13-18/h5-15,26H,4H2,1-3H3/b25-24-.
What are the key properties of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 40962585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).