3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H24N2O3S — CID 46402452

IUPAC3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC2CCCc3ccccc32)ccc1OCc1cscn1
InChIInChI=1S/C23H24N2O3S/c1-27-22-11-17(9-10-21(22)28-13-19-14-29-15-25-19)23(26)24-12-18-7-4-6-16-5-2-3-8-20(16)18/h2-3,5,8-11,14-15,18H,4,6-7,12-13H2,1H3,(H,24,26)
InChIKeyHFUAOBMWHLSYOF-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.58
Rot. Bonds7

About 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 46402452) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID46402452
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC2CCCc3ccccc32)ccc1OCc1cscn1
InChIInChI=1S/C23H24N2O3S/c1-27-22-11-17(9-10-21(22)28-13-19-14-29-15-25-19)23(26)24-12-18-7-4-6-16-5-2-3-8-20(16)18/h2-3,5,8-11,14-15,18H,4,6-7,12-13H2,1H3,(H,24,26)
InChIKeyHFUAOBMWHLSYOF-UHFFFAOYSA-N
XLogP4.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119464467
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
CID 86994987
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55801389
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 46402452) is 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NCC2CCCc3ccccc32)ccc1OCc1cscn1.
What is the InChIKey of 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is HFUAOBMWHLSYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-27-22-11-17(9-10-21(22)28-13-19-14-29-15-25-19)23(26)24-12-18-7-4-6-16-5-2-3-8-20(16)18/h2-3,5,8-11,14-15,18H,4,6-7,12-13H2,1H3,(H,24,26).
What are the key properties of 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 46402452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).