N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide

C23H22N2O4S — CID 30712059

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccco2)c2nc3c(C)c(C)ccc3s2)c1OC
InChIInChI=1S/C23H22N2O4S/c1-14-10-11-19-20(15(14)2)24-23(30-19)25(13-16-7-6-12-29-16)22(26)17-8-5-9-18(27-3)21(17)28-4/h5-12H,13H2,1-4H3
InChIKeyZSCXKHANCKDYBY-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.37
Rot. Bonds6

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide (PubChem CID 30712059) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide
PubChem CID30712059
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccco2)c2nc3c(C)c(C)ccc3s2)c1OC
InChIInChI=1S/C23H22N2O4S/c1-14-10-11-19-20(15(14)2)24-23(30-19)25(13-16-7-6-12-29-16)22(26)17-8-5-9-18(27-3)21(17)28-4/h5-12H,13H2,1-4H3
InChIKeyZSCXKHANCKDYBY-UHFFFAOYSA-N
XLogP5.37
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
CID 30712014
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 30709801
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 30712031
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-iodobenzamide
CID 30712434
N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 30711211
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 30711298
N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938973
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30710635
N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993545
4-[butyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30712026
2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30710060
2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 30710745

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide (CID 30712059) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)N(Cc2ccco2)c2nc3c(C)c(C)ccc3s2)c1OC.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
The InChIKey is ZSCXKHANCKDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-14-10-11-19-20(15(14)2)24-23(30-19)25(13-16-7-6-12-29-16)22(26)17-8-5-9-18(27-3)21(17)28-4/h5-12H,13H2,1-4H3.
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide has a molecular weight of 422.51 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 30712059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).