3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide

C22H25N3O3S — CID 47919453

IUPAC3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2csc(CC)n2)ccc1OCc1cccnc1
InChIInChI=1S/C22H25N3O3S/c1-4-21-24-18(15-29-21)13-25(3)22(26)17-8-9-19(20(11-17)27-5-2)28-14-16-7-6-10-23-12-16/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyRYUONVBZCRVYSN-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.35
Rot. Bonds9

About 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 47919453) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID47919453
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2csc(CC)n2)ccc1OCc1cccnc1
InChIInChI=1S/C22H25N3O3S/c1-4-21-24-18(15-29-21)13-25(3)22(26)17-8-9-19(20(11-17)27-5-2)28-14-16-7-6-10-23-12-16/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyRYUONVBZCRVYSN-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46598269
3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
3,4,5-triethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47871180
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517164
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46593357
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide (CID 47919453) is 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)N(C)Cc2csc(CC)n2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is RYUONVBZCRVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-4-21-24-18(15-29-21)13-25(3)22(26)17-8-9-19(20(11-17)27-5-2)28-14-16-7-6-10-23-12-16/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 411.53 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 47919453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).