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

C26H18ClN3O2S — CID 41055982

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C26H18ClN3O2S/c27-18-13-14-22-24(16-18)33-26(29-22)30(17-19-8-6-7-15-28-19)25(31)21-11-4-5-12-23(21)32-20-9-2-1-3-10-20/h1-16H,17H2
InChIKeyULJIRQCEYBBEJP-UHFFFAOYSA-N
MW471.97 g/mol
LogP6.98
Rot. Bonds6

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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41055982) 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-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID41055982
Molecular FormulaC26H18ClN3O2S
Molecular Weight471.97 g/mol
Exact Mass471.08
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C26H18ClN3O2S/c27-18-13-14-22-24(16-18)33-26(29-22)30(17-19-8-6-7-15-28-19)25(31)21-11-4-5-12-23(21)32-20-9-2-1-3-10-20/h1-16H,17H2
InChIKeyULJIRQCEYBBEJP-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

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983165
N-(6-chloro-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 16849144
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 16823083
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055601
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pentoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055964
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 41004764
2,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055700
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41117452
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056036
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986383
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 43985949
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41340835

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide (CID 41055982) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccccc1Oc1ccccc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ULJIRQCEYBBEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O2S/c27-18-13-14-22-24(16-18)33-26(29-22)30(17-19-8-6-7-15-28-19)25(31)21-11-4-5-12-23(21)32-20-9-2-1-3-10-20/h1-16H,17H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-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-2-ylmethyl)benzamide is sourced from PubChem (CID 41055982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).