[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate

C17H18N2O5S — CID 4786402

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H18N2O5S/c1-10-3-5-12(6-4-10)24-11(2)17(22)23-9-14(20)19-16-13(15(18)21)7-8-25-16/h3-8,11H,9H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyDQWCUASUEKKZLF-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.10
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate (PubChem CID 4786402) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
PubChem CID4786402
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H18N2O5S/c1-10-3-5-12(6-4-10)24-11(2)17(22)23-9-14(20)19-16-13(15(18)21)7-8-25-16/h3-8,11H,9H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyDQWCUASUEKKZLF-UHFFFAOYSA-N
XLogP2.10
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate (CID 4786402) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate is Cc1ccc(OC(C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The InChIKey is DQWCUASUEKKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-3-5-12(6-4-10)24-11(2)17(22)23-9-14(20)19-16-13(15(18)21)7-8-25-16/h3-8,11H,9H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate has a molecular weight of 362.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 4786402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).