[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate

C22H19NO4S — CID 8835498

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESCN(C)C(=O)[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C22H19NO4S/c1-23(2)21(25)20(15-9-4-3-5-10-15)27-22(26)17-12-7-6-11-16(17)19(24)18-13-8-14-28-18/h3-14,20H,1-2H3/t20-/m1/s1
InChIKeyBCIWGOBORVMBQO-HXUWFJFHSA-N
MW393.46 g/mol
LogP3.97
Rot. Bonds6

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate (PubChem CID 8835498) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
PubChem CID8835498
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESCN(C)C(=O)[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C22H19NO4S/c1-23(2)21(25)20(15-9-4-3-5-10-15)27-22(26)17-12-7-6-11-16(17)19(24)18-13-8-14-28-18/h3-14,20H,1-2H3/t20-/m1/s1
InChIKeyBCIWGOBORVMBQO-HXUWFJFHSA-N
XLogP3.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835492
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
CID 9415083
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
CID 18199295
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735832
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970571

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate (CID 8835498) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate is CN(C)C(=O)[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is BCIWGOBORVMBQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-23(2)21(25)20(15-9-4-3-5-10-15)27-22(26)17-12-7-6-11-16(17)19(24)18-13-8-14-28-18/h3-14,20H,1-2H3/t20-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 393.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 8835498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).