[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C14H18N2O4S — CID 2628059

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4S/c1-9-6-7-21-12(9)13(18)20-8-11(17)16-14(19)15-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H2,15,16,17,19)
InChIKeyJBUPXNYHUVANTA-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.98
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2628059) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2628059
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4S/c1-9-6-7-21-12(9)13(18)20-8-11(17)16-14(19)15-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H2,15,16,17,19)
InChIKeyJBUPXNYHUVANTA-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2628059) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is JBUPXNYHUVANTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9-6-7-21-12(9)13(18)20-8-11(17)16-14(19)15-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H2,15,16,17,19).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2628059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).