[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C16H15ClN2O5S — CID 8662405

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-23-12-5-4-10(7-11(12)17)19-14(20)9-24-15(21)8-18-16(22)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyZEEIRTAPACXHFA-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.32
Rot. Bonds7

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 8662405) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID8662405
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-23-12-5-4-10(7-11(12)17)19-14(20)9-24-15(21)8-18-16(22)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyZEEIRTAPACXHFA-UHFFFAOYSA-N
XLogP2.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 8662405) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is COc1ccc(NC(=O)COC(=O)CNC(=O)c2cccs2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is ZEEIRTAPACXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-23-12-5-4-10(7-11(12)17)19-14(20)9-24-15(21)8-18-16(22)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 382.83 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 8662405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).