N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide

C25H17BrN2O2S — CID 17116598

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc2ccccc2c1Br
InChIInChI=1S/C25H17BrN2O2S/c1-30-23-18(14-15-8-2-3-9-16(15)22(23)26)24(29)27-19-11-5-4-10-17(19)25-28-20-12-6-7-13-21(20)31-25/h2-14H,1H3,(H,27,29)
InChIKeyZKUWRXIJUAZWRM-UHFFFAOYSA-N
MW489.39 g/mol
LogP7.14
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide (PubChem CID 17116598) has the molecular formula C25H17BrN2O2S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
PubChem CID17116598
Molecular FormulaC25H17BrN2O2S
Molecular Weight489.39 g/mol
Exact Mass488.02
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc2ccccc2c1Br
InChIInChI=1S/C25H17BrN2O2S/c1-30-23-18(14-15-8-2-3-9-16(15)22(23)26)24(29)27-19-11-5-4-10-17(19)25-28-20-12-6-7-13-21(20)31-25/h2-14H,1H3,(H,27,29)
InChIKeyZKUWRXIJUAZWRM-UHFFFAOYSA-N
XLogP7.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.39
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2235201
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-fluoro-3-methoxypyridine-4-carboxamide
CID 167844091
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3907645
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2235183
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 26181544
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3266914
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 26181557
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 4503334
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 2214190
N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 4311493

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide (CID 17116598) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc2ccccc2c1Br.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide?
The InChIKey is ZKUWRXIJUAZWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2O2S/c1-30-23-18(14-15-8-2-3-9-16(15)22(23)26)24(29)27-19-11-5-4-10-17(19)25-28-20-12-6-7-13-21(20)31-25/h2-14H,1H3,(H,27,29).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide has a molecular weight of 489.39 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 17116598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).