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

C24H17ClN2O2S — CID 30711551

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
SMILESCc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)nc12
InChIInChI=1S/C24H17ClN2O2S/c1-15-8-11-20(25)22-21(15)26-24(30-22)27(14-19-7-4-12-29-19)23(28)18-10-9-16-5-2-3-6-17(16)13-18/h2-13H,14H2,1H3
InChIKeyBFHOFXUSXXHIIJ-UHFFFAOYSA-N
MW432.93 g/mol
LogP6.85
Rot. Bonds4

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

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 30711551) has the molecular formula C24H17ClN2O2S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
PubChem CID30711551
Molecular FormulaC24H17ClN2O2S
Molecular Weight432.93 g/mol
Exact Mass432.07
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
SMILESCc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)nc12
InChIInChI=1S/C24H17ClN2O2S/c1-15-8-11-20(25)22-21(15)26-24(30-22)27(14-19-7-4-12-29-19)23(28)18-10-9-16-5-2-3-6-17(16)13-18/h2-13H,14H2,1H3
InChIKeyBFHOFXUSXXHIIJ-UHFFFAOYSA-N
XLogP6.85
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.93
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30711514
4-(azepan-1-ylsulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949459
4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949484
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30711431
2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30710060
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 44949483
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
CID 30712871
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 8718598
4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30712659
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 30710129
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide
CID 30710535
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30712366

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide (CID 30711551) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide is Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)nc12.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is BFHOFXUSXXHIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2S/c1-15-8-11-20(25)22-21(15)26-24(30-22)27(14-19-7-4-12-29-19)23(28)18-10-9-16-5-2-3-6-17(16)13-18/h2-13H,14H2,1H3.
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 30711551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).