N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide

C26H18ClN3O2S — CID 40983165

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C26H18ClN3O2S/c27-19-12-13-22-24(15-19)33-26(29-22)30(17-18-7-6-14-28-16-18)25(31)21-10-4-5-11-23(21)32-20-8-2-1-3-9-20/h1-16H,17H2
InChIKeyRQQKMWNFFKRVAQ-UHFFFAOYSA-N
MW471.97 g/mol
LogP6.98
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 40983165) has the molecular formula C26H18ClN3O2S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID40983165
Molecular FormulaC26H18ClN3O2S
Molecular Weight471.97 g/mol
Exact Mass471.08
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C26H18ClN3O2S/c27-19-12-13-22-24(15-19)33-26(29-22)30(17-18-7-6-14-28-16-18)25(31)21-10-4-5-11-23(21)32-20-8-2-1-3-9-20/h1-16H,17H2
InChIKeyRQQKMWNFFKRVAQ-UHFFFAOYSA-N
XLogP6.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.97
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide 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-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055982
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
CID 43967669
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 43966998
methyl 4-[(6-chloro-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate
CID 40983140
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41319050
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pentoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983145
2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995614
N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 43967066
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966767
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966883
N-(6-chloro-1,3-benzothiazol-2-yl)-3-oxo-N-(pyridin-3-ylmethyl)benzo[f]chromene-2-carboxamide
CID 40983142

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide (CID 40983165) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccccc1Oc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RQQKMWNFFKRVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O2S/c27-19-12-13-22-24(15-19)33-26(29-22)30(17-18-7-6-14-28-16-18)25(31)21-10-4-5-11-23(21)32-20-8-2-1-3-9-20/h1-16H,17H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 471.97 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 40983165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).