3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

C23H21N3O4S — CID 39105513

IUPAC3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)ccc1OCc1cccnc1
InChIInChI=1S/C23H21N3O4S/c1-3-29-20-11-16(6-9-19(20)30-14-15-5-4-10-24-13-15)22(27)26-23-25-18-8-7-17(28-2)12-21(18)31-23/h4-13H,3,14H2,1-2H3,(H,25,26,27)
InChIKeyOUPOINVJLAOQFM-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.93
Rot. Bonds8

About 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39105513) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39105513
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)ccc1OCc1cccnc1
InChIInChI=1S/C23H21N3O4S/c1-3-29-20-11-16(6-9-19(20)30-14-15-5-4-10-24-13-15)22(27)26-23-25-18-8-7-17(28-2)12-21(18)31-23/h4-13H,3,14H2,1-2H3,(H,25,26,27)
InChIKeyOUPOINVJLAOQFM-UHFFFAOYSA-N
XLogP4.93
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 43952122
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (CID 39105513) is 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is OUPOINVJLAOQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-3-29-20-11-16(6-9-19(20)30-14-15-5-4-10-24-13-15)22(27)26-23-25-18-8-7-17(28-2)12-21(18)31-23/h4-13H,3,14H2,1-2H3,(H,25,26,27).
What are the key properties of 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 435.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39105513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).