N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

C28H24N2O2S — CID 30709759

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
SMILESCc1cc(C)c2nc(N(Cc3ccco3)C(=O)C(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C28H24N2O2S/c1-19-16-20(2)26-24(17-19)33-28(29-26)30(18-23-14-9-15-32-23)27(31)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-17,25H,18H2,1-2H3
InChIKeyLYMGRZZTRHQAFB-UHFFFAOYSA-N
MW452.58 g/mol
LogP6.87
Rot. Bonds6

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (PubChem CID 30709759) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
PubChem CID30709759
Molecular FormulaC28H24N2O2S
Molecular Weight452.58 g/mol
Exact Mass452.16
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
SMILESCc1cc(C)c2nc(N(Cc3ccco3)C(=O)C(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C28H24N2O2S/c1-19-16-20(2)26-24(17-19)33-28(29-26)30(18-23-14-9-15-32-23)27(31)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-17,25H,18H2,1-2H3
InChIKeyLYMGRZZTRHQAFB-UHFFFAOYSA-N
XLogP6.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30709572
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 30709797
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 44949322
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 30709801
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 30707861
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide
CID 16549670
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 30709894
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848640
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
CID 43963059
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41363044
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 44949341
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949337

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (CID 30709759) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is Cc1cc(C)c2nc(N(Cc3ccco3)C(=O)C(c3ccccc3)c3ccccc3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The InChIKey is LYMGRZZTRHQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2S/c1-19-16-20(2)26-24(17-19)33-28(29-26)30(18-23-14-9-15-32-23)27(31)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-17,25H,18H2,1-2H3.
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide has a molecular weight of 452.58 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 30709759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).