N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C26H22N2O4S — CID 30711211

IUPACN-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(Cc1ccco1)c1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C26H22N2O4S/c1-16-10-11-21(30-2)23-24(16)33-26(27-23)28(15-19-9-6-12-32-19)25(29)20-13-17-7-4-5-8-18(17)14-22(20)31-3/h4-14H,15H2,1-3H3
InChIKeyUJWOCNJACHWXTK-UHFFFAOYSA-N
MW458.54 g/mol
LogP6.22
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 30711211) has the molecular formula C26H22N2O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID30711211
Molecular FormulaC26H22N2O4S
Molecular Weight458.54 g/mol
Exact Mass458.13
IUPAC NameN-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(Cc1ccco1)c1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C26H22N2O4S/c1-16-10-11-21(30-2)23-24(16)33-26(27-23)28(15-19-9-6-12-32-19)25(29)20-13-17-7-4-5-8-18(17)14-22(20)31-3/h4-14H,15H2,1-3H3
InChIKeyUJWOCNJACHWXTK-UHFFFAOYSA-N
XLogP6.22
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
CID 30712871
2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 30710745
3-chloro-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 30711109
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 30711145
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 30711298
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41108731
(E)-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 30711127
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30710635
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanyl-N-(furan-2-ylmethyl)benzamide
CID 30710912
2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30710060
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 30711356
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30710585

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 30711211) is N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(Cc1ccco1)c1nc2c(OC)ccc(C)c2s1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is UJWOCNJACHWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4S/c1-16-10-11-21(30-2)23-24(16)33-26(27-23)28(15-19-9-6-12-32-19)25(29)20-13-17-7-4-5-8-18(17)14-22(20)31-3/h4-14H,15H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 30711211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).