[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate

C20H24N2O5S — CID 27614893

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
SMILESCN(C)C(=O)[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-22(2)19(23)18(16-7-5-4-6-8-16)27-20(24)17-11-9-15(10-12-17)13-14-21-28(3,25)26/h4-12,18,21H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyQZRKBYRYHNATDH-GOSISDBHSA-N
MW404.49 g/mol
LogP1.76
Rot. Bonds8

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate (PubChem CID 27614893) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
PubChem CID27614893
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
SMILESCN(C)C(=O)[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-22(2)19(23)18(16-7-5-4-6-8-16)27-20(24)17-11-9-15(10-12-17)13-14-21-28(3,25)26/h4-12,18,21H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyQZRKBYRYHNATDH-GOSISDBHSA-N
XLogP1.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
CID 42922412
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7704010
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methyl-3-sulfamoylbenzoate
CID 46660014
(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate
CID 43040537
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 46824288
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 46825923
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715162

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate (CID 27614893) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate is CN(C)C(=O)[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate?
The InChIKey is QZRKBYRYHNATDH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-22(2)19(23)18(16-7-5-4-6-8-16)27-20(24)17-11-9-15(10-12-17)13-14-21-28(3,25)26/h4-12,18,21H,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate has a molecular weight of 404.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate is sourced from PubChem (CID 27614893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).