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

C25H19ClN2O4S — CID 30712871

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(Cc1ccco1)c1nc2c(OC)ccc(Cl)c2s1
InChIInChI=1S/C25H19ClN2O4S/c1-30-20-10-9-19(26)23-22(20)27-25(33-23)28(14-17-8-5-11-32-17)24(29)18-12-15-6-3-4-7-16(15)13-21(18)31-2/h3-13H,14H2,1-2H3
InChIKeyXYTODOOLGDLWBR-UHFFFAOYSA-N
MW478.96 g/mol
LogP6.56
Rot. Bonds6

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

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 30712871) has the molecular formula C25H19ClN2O4S and a molecular weight of 478.96 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID30712871
Molecular FormulaC25H19ClN2O4S
Molecular Weight478.96 g/mol
Exact Mass478.08
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(Cc1ccco1)c1nc2c(OC)ccc(Cl)c2s1
InChIInChI=1S/C25H19ClN2O4S/c1-30-20-10-9-19(26)23-22(20)27-25(33-23)28(14-17-8-5-11-32-17)24(29)18-12-15-6-3-4-7-16(15)13-21(18)31-2/h3-13H,14H2,1-2H3
InChIKeyXYTODOOLGDLWBR-UHFFFAOYSA-N
XLogP6.56
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 30711211
2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 30710745
4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30712659
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30712683
(E)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 30712768
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)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 30712721
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
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30710585
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30711551
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 30710822

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide (CID 30712871) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(Cc1ccco1)c1nc2c(OC)ccc(Cl)c2s1.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is XYTODOOLGDLWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O4S/c1-30-20-10-9-19(26)23-22(20)27-25(33-23)28(14-17-8-5-11-32-17)24(29)18-12-15-6-3-4-7-16(15)13-21(18)31-2/h3-13H,14H2,1-2H3.
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 478.96 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 30712871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).