2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide

C22H25N3O3S — CID 167266698

IUPAC2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide
SMILESCCCc1cccc(OCC(=O)N(c2ccncc2)c2nc(C)cs2)c1OCC
InChIInChI=1S/C22H25N3O3S/c1-4-7-17-8-6-9-19(21(17)27-5-2)28-14-20(26)25(18-10-12-23-13-11-18)22-24-16(3)15-29-22/h6,8-13,15H,4-5,7,14H2,1-3H3
InChIKeyMFCRIIPSABHXGA-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.94
Rot. Bonds9

About 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide

2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide (PubChem CID 167266698) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide
PubChem CID167266698
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide
SMILESCCCc1cccc(OCC(=O)N(c2ccncc2)c2nc(C)cs2)c1OCC
InChIInChI=1S/C22H25N3O3S/c1-4-7-17-8-6-9-19(21(17)27-5-2)28-14-20(26)25(18-10-12-23-13-11-18)22-24-16(3)15-29-22/h6,8-13,15H,4-5,7,14H2,1-3H3
InChIKeyMFCRIIPSABHXGA-UHFFFAOYSA-N
XLogP4.94
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide (CID 167266698) is 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide is CCCc1cccc(OCC(=O)N(c2ccncc2)c2nc(C)cs2)c1OCC.
What is the InChIKey of 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide?
The InChIKey is MFCRIIPSABHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-4-7-17-8-6-9-19(21(17)27-5-2)28-14-20(26)25(18-10-12-23-13-11-18)22-24-16(3)15-29-22/h6,8-13,15H,4-5,7,14H2,1-3H3.
What are the key properties of 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide?
2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide has a molecular weight of 411.53 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 167266698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).