[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone

C16H17NO3S — CID 70744426

IUPAC[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOc1cccc(OC2CN(C(=O)c3sccc3C)C2)c1
InChIInChI=1S/C16H17NO3S/c1-11-6-7-21-15(11)16(18)17-9-14(10-17)20-13-5-3-4-12(8-13)19-2/h3-8,14H,9-10H2,1-2H3
InChIKeyTXDHZZPTBDAKIK-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.97
Rot. Bonds4

About [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone

[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 70744426) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID70744426
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOc1cccc(OC2CN(C(=O)c3sccc3C)C2)c1
InChIInChI=1S/C16H17NO3S/c1-11-6-7-21-15(11)16(18)17-9-14(10-17)20-13-5-3-4-12(8-13)19-2/h3-8,14H,9-10H2,1-2H3
InChIKeyTXDHZZPTBDAKIK-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
CID 66213343
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
CID 131890137
N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 131914476
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97198398
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
CID 70773882

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 70744426) is [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone is COc1cccc(OC2CN(C(=O)c3sccc3C)C2)c1.
What is the InChIKey of [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is TXDHZZPTBDAKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-6-7-21-15(11)16(18)17-9-14(10-17)20-13-5-3-4-12(8-13)19-2/h3-8,14H,9-10H2,1-2H3.
What are the key properties of [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 303.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 70744426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).