[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate

C16H17NO3S — CID 9415083

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)s1
InChIInChI=1S/C16H17NO3S/c1-11-9-10-13(21-11)16(19)20-14(15(18)17(2)3)12-7-5-4-6-8-12/h4-10,14H,1-3H3/t14-/m1/s1
InChIKeyRLMVUDPCCMLIBM-CQSZACIVSA-N
MW303.38 g/mol
LogP3.04
Rot. Bonds4

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate (PubChem CID 9415083) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
PubChem CID9415083
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)s1
InChIInChI=1S/C16H17NO3S/c1-11-9-10-13(21-11)16(19)20-14(15(18)17(2)3)12-7-5-4-6-8-12/h4-10,14H,1-3H3/t14-/m1/s1
InChIKeyRLMVUDPCCMLIBM-CQSZACIVSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 46825699
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735832
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835498
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7701039
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxylate
CID 18199331
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 39967297
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785035

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate (CID 9415083) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)s1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is RLMVUDPCCMLIBM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-9-10-13(21-11)16(19)20-14(15(18)17(2)3)12-7-5-4-6-8-12/h4-10,14H,1-3H3/t14-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 9415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).