2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone

C16H21NO3S — CID 131649083

IUPAC2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CC3(CC(OC)CS3)C2)cc1
InChIInChI=1S/C16H21NO3S/c1-19-13-5-3-12(4-6-13)7-15(18)17-10-16(11-17)8-14(20-2)9-21-16/h3-6,14H,7-11H2,1-2H3
InChIKeyIYHCIBZUPIUQBR-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.97
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone

2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone (PubChem CID 131649083) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
PubChem CID131649083
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CC3(CC(OC)CS3)C2)cc1
InChIInChI=1S/C16H21NO3S/c1-19-13-5-3-12(4-6-13)7-15(18)17-10-16(11-17)8-14(20-2)9-21-16/h3-6,14H,7-11H2,1-2H3
InChIKeyIYHCIBZUPIUQBR-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-1-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124796770
2-(3,4-dihydro-2H-chromen-6-yl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131692216
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
2-(4-methylphenyl)-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792912
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone
CID 131647950
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 164633890
(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692208

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone (CID 131649083) is 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone is COc1ccc(CC(=O)N2CC3(CC(OC)CS3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
The InChIKey is IYHCIBZUPIUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-19-13-5-3-12(4-6-13)7-15(18)17-10-16(11-17)8-14(20-2)9-21-16/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone has a molecular weight of 307.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone is sourced from PubChem (CID 131649083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).