N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide

C23H21N3O3S — CID 40508231

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1cccc2sc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C23H21N3O3S/c1-28-19-10-5-11-20-22(19)25-23(30-20)26(16-17-7-6-13-24-15-17)21(27)12-14-29-18-8-3-2-4-9-18/h2-11,13,15H,12,14,16H2,1H3
InChIKeyJAKNHAWONITPSA-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.70
Rot. Bonds8

About N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 40508231) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
PubChem CID40508231
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1cccc2sc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C23H21N3O3S/c1-28-19-10-5-11-20-22(19)25-23(30-20)26(16-17-7-6-13-24-15-17)21(27)12-14-29-18-8-3-2-4-9-18/h2-11,13,15H,12,14,16H2,1H3
InChIKeyJAKNHAWONITPSA-UHFFFAOYSA-N
XLogP4.70
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 16939256
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966646
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966669
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 8670797
2-(5-chlorothiophen-2-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41340924
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966648
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 40983620
2,5-dimethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16849191
3,5-dichloro-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983361
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967151
N-benzyl-4-(4-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2576297
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966667

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide (CID 40508231) is N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide is COc1cccc2sc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JAKNHAWONITPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-19-10-5-11-20-22(19)25-23(30-20)26(16-17-7-6-13-24-15-17)21(27)12-14-29-18-8-3-2-4-9-18/h2-11,13,15H,12,14,16H2,1H3.
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 419.51 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 40508231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).