[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate

C19H21NO4S — CID 43027083

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESCc1cc(C)c(C(=O)COC(=O)CCNC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H21NO4S/c1-12-9-13(2)18(14(3)10-12)15(21)11-24-17(22)6-7-20-19(23)16-5-4-8-25-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)
InChIKeyWAHWGUKUDLNTPA-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.22
Rot. Bonds7

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate (PubChem CID 43027083) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
PubChem CID43027083
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESCc1cc(C)c(C(=O)COC(=O)CCNC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H21NO4S/c1-12-9-13(2)18(14(3)10-12)15(21)11-24-17(22)6-7-20-19(23)16-5-4-8-25-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)
InChIKeyWAHWGUKUDLNTPA-UHFFFAOYSA-N
XLogP3.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066280
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 35294378
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662268
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 46812642
[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027103
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-thiophen-2-ylprop-2-enoate
CID 3994895
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate (CID 43027083) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate is Cc1cc(C)c(C(=O)COC(=O)CCNC(=O)c2cccs2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate?
The InChIKey is WAHWGUKUDLNTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-12-9-13(2)18(14(3)10-12)15(21)11-24-17(22)6-7-20-19(23)16-5-4-8-25-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23).
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate has a molecular weight of 359.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 43027083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).