[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate

C20H23NO5S — CID 7522575

IUPAC[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H23NO5S/c1-14-5-6-16(11-15(14)2)12-20(23)26-13-19(22)17-7-9-18(10-8-17)21(3)27(4,24)25/h5-11H,12-13H2,1-4H3
InChIKeyDLUSZTQOUKGMIU-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.67
Rot. Bonds7

About [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate

[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 7522575) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
PubChem CID7522575
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H23NO5S/c1-14-5-6-16(11-15(14)2)12-20(23)26-13-19(22)17-7-9-18(10-8-17)21(3)27(4,24)25/h5-11H,12-13H2,1-4H3
InChIKeyDLUSZTQOUKGMIU-UHFFFAOYSA-N
XLogP2.67
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904837
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7518517
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7518089
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458334
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 7594620
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7516811
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511643
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632587
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 9487434
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7519934
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386120

Frequently Asked Questions

What is the IUPAC name of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate (CID 7522575) is [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate is Cc1ccc(CC(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is DLUSZTQOUKGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-14-5-6-16(11-15(14)2)12-20(23)26-13-19(22)17-7-9-18(10-8-17)21(3)27(4,24)25/h5-11H,12-13H2,1-4H3.
What are the key properties of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 389.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 7522575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).