[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

C16H17NO3S — CID 7799163

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1C
InChIInChI=1S/C16H17NO3S/c1-11-5-6-13(8-12(11)2)17-15(18)10-20-16(19)9-14-4-3-7-21-14/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyGIGYYQQFZXGGKL-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.09
Rot. Bonds5

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 7799163) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID7799163
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1C
InChIInChI=1S/C16H17NO3S/c1-11-5-6-13(8-12(11)2)17-15(18)10-20-16(19)9-14-4-3-7-21-14/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyGIGYYQQFZXGGKL-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
butyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7798928
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
CID 7799166
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798834
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 23738093
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798734

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (CID 7799163) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is Cc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is GIGYYQQFZXGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-5-6-13(8-12(11)2)17-15(18)10-20-16(19)9-14-4-3-7-21-14/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 303.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7799163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).