1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone

C19H19NO3S — CID 122273262

IUPAC1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C19H19NO3S/c21-19(20-12-18-11-17(20)13-24(18,22)23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2
InChIKeyWRLPXLSMSMYMBH-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone

1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone (PubChem CID 122273262) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone
PubChem CID122273262
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C19H19NO3S/c21-19(20-12-18-11-17(20)13-24(18,22)23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2
InChIKeyWRLPXLSMSMYMBH-UHFFFAOYSA-N
XLogP2.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone with MolForge

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Related Compounds

1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-phenylethanone
CID 122273217
benzyl N-[2-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-oxoethyl]carbamate
CID 122273339
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone
CID 122273237
1-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(4-phenylphenyl)ethanone
CID 137341574
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
2-(4-phenylphenyl)acetyl chloride
CID 11264727
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(4-phenyloxan-4-yl)methanone
CID 122273299
1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 133265703
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone
CID 122273154

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone (CID 122273262) is 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CC2CC1CS2(=O)=O.
What is the InChIKey of 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone?
The InChIKey is WRLPXLSMSMYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-19(20-12-18-11-17(20)13-24(18,22)23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2.
What are the key properties of 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone?
1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone has a molecular weight of 341.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 122273262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).