(5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate

C18H19NO5S — CID 8662294

IUPAC(5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H19NO5S/c1-3-23-15-7-6-13(12(2)20)9-14(15)11-24-17(21)10-19-18(22)16-5-4-8-25-16/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyDVXRJTGTXPIACN-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.82
Rot. Bonds8

About (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate

(5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 8662294) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID8662294
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H19NO5S/c1-3-23-15-7-6-13(12(2)20)9-14(15)11-24-17(21)10-19-18(22)16-5-4-8-25-16/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyDVXRJTGTXPIACN-UHFFFAOYSA-N
XLogP2.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate (CID 8662294) is (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate is CCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is DVXRJTGTXPIACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-3-23-15-7-6-13(12(2)20)9-14(15)11-24-17(21)10-19-18(22)16-5-4-8-25-16/h4-9H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
(5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 361.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 8662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).