4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C20H14BrClN2O3S — CID 30712659

IUPAC4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H14BrClN2O3S/c1-26-16-9-8-15(22)18-17(16)23-20(28-18)24(11-14-3-2-10-27-14)19(25)12-4-6-13(21)7-5-12/h2-10H,11H2,1H3
InChIKeyZVTQECRXBCMJFY-UHFFFAOYSA-N
MW477.77 g/mol
LogP6.16
Rot. Bonds5

About 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 30712659) has the molecular formula C20H14BrClN2O3S and a molecular weight of 477.77 g/mol. Its IUPAC name is 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
PubChem CID30712659
Molecular FormulaC20H14BrClN2O3S
Molecular Weight477.77 g/mol
Exact Mass475.96
IUPAC Name4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H14BrClN2O3S/c1-26-16-9-8-15(22)18-17(16)23-20(28-18)24(11-14-3-2-10-27-14)19(25)12-4-6-13(21)7-5-12/h2-10H,11H2,1H3
InChIKeyZVTQECRXBCMJFY-UHFFFAOYSA-N
XLogP6.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.77
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30712683
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30710585
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
CID 30712871
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(furan-2-ylmethyl)benzamide
CID 30712949
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 44949586
4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 41075996
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30710635
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 30712721
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)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993579
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
CID 44949571
(E)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 30712768

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 30712659) is 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(Br)cc3)nc12.
What is the InChIKey of 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZVTQECRXBCMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O3S/c1-26-16-9-8-15(22)18-17(16)23-20(28-18)24(11-14-3-2-10-27-14)19(25)12-4-6-13(21)7-5-12/h2-10H,11H2,1H3.
What are the key properties of 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?
4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 477.77 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 30712659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).