N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide

C24H24N2O7S — CID 30710635

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)c2nc3c(OC)ccc(OC)c3s2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O7S/c1-28-16-8-9-17(29-2)22-20(16)25-24(34-22)26(13-15-7-6-10-33-15)23(27)14-11-18(30-3)21(32-5)19(12-14)31-4/h6-12H,13H2,1-5H3
InChIKeyCQJNVDPBDGRAQY-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.78
Rot. Bonds9

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide (PubChem CID 30710635) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
PubChem CID30710635
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)c2nc3c(OC)ccc(OC)c3s2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O7S/c1-28-16-8-9-17(29-2)22-20(16)25-24(34-22)26(13-15-7-6-10-33-15)23(27)14-11-18(30-3)21(32-5)19(12-14)31-4/h6-12H,13H2,1-5H3
InChIKeyCQJNVDPBDGRAQY-UHFFFAOYSA-N
XLogP4.78
TPSA92.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
CID 30710834
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30709092
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30710585
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide
CID 30710825
2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 30710745
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 30710783
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 44949381
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993579
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 30710822
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 30711298
4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30712659
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 30710938

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide (CID 30710635) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N(Cc2ccco2)c2nc3c(OC)ccc(OC)c3s2)cc(OC)c1OC.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?
The InChIKey is CQJNVDPBDGRAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-28-16-8-9-17(29-2)22-20(16)25-24(34-22)26(13-15-7-6-10-33-15)23(27)14-11-18(30-3)21(32-5)19(12-14)31-4/h6-12H,13H2,1-5H3.
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 484.53 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 30710635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).