[2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C16H15NO4S — CID 3158560

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO4S/c1-11-4-6-12(7-5-11)13(18)10-21-15(19)9-17-16(20)14-3-2-8-22-14/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyDLZXULQJKGAROX-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.21
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 3158560) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID3158560
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO4S/c1-11-4-6-12(7-5-11)13(18)10-21-15(19)9-17-16(20)14-3-2-8-22-14/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyDLZXULQJKGAROX-UHFFFAOYSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 3158560) is [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is Cc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is DLZXULQJKGAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-11-4-6-12(7-5-11)13(18)10-21-15(19)9-17-16(20)14-3-2-8-22-14/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 317.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 3158560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).