1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one

C19H23NO4S — CID 121164374

IUPAC1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
SMILESCCS(=O)(=O)C1CN(C(=O)CCc2c(OC)ccc3ccccc23)C1
InChIInChI=1S/C19H23NO4S/c1-3-25(22,23)15-12-20(13-15)19(21)11-9-17-16-7-5-4-6-14(16)8-10-18(17)24-2/h4-8,10,15H,3,9,11-13H2,1-2H3
InChIKeyYEYPLGTUSNQATH-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.43
Rot. Bonds6

About 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one

1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one (PubChem CID 121164374) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
PubChem CID121164374
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
SMILESCCS(=O)(=O)C1CN(C(=O)CCc2c(OC)ccc3ccccc23)C1
InChIInChI=1S/C19H23NO4S/c1-3-25(22,23)15-12-20(13-15)19(21)11-9-17-16-7-5-4-6-14(16)8-10-18(17)24-2/h4-8,10,15H,3,9,11-13H2,1-2H3
InChIKeyYEYPLGTUSNQATH-UHFFFAOYSA-N
XLogP2.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 90586658
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164888
3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616391
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
3-(2-bromophenyl)-1-(3-ethylsulfonylazetidin-1-yl)propan-1-one
CID 121164365
3-anthracen-9-yl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90592993
1-(3-ethylsulfonylazetidin-1-yl)-2-phenoxyethanone
CID 121164260
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
3-(2,6-dichlorophenyl)-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 90594180
1-ethyl-N-[2-(2-methoxynaphthalen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72913290
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90594958

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one (CID 121164374) is 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one is CCS(=O)(=O)C1CN(C(=O)CCc2c(OC)ccc3ccccc23)C1.
What is the InChIKey of 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The InChIKey is YEYPLGTUSNQATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-25(22,23)15-12-20(13-15)19(21)11-9-17-16-7-5-4-6-14(16)8-10-18(17)24-2/h4-8,10,15H,3,9,11-13H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one has a molecular weight of 361.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 121164374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).