[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C14H18N2O4S — CID 3948475

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4S/c17-12(16-14(19)15-11-3-1-2-4-11)8-20-13(18)7-10-5-6-21-9-10/h5-6,9,11H,1-4,7-8H2,(H2,15,16,17,19)
InChIKeyDKSRDWZJHNOKNG-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.60
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 3948475) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID3948475
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4S/c17-12(16-14(19)15-11-3-1-2-4-11)8-20-13(18)7-10-5-6-21-9-10/h5-6,9,11H,1-4,7-8H2,(H2,15,16,17,19)
InChIKeyDKSRDWZJHNOKNG-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.60
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] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 3948475) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is DKSRDWZJHNOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-12(16-14(19)15-11-3-1-2-4-11)8-20-13(18)7-10-5-6-21-9-10/h5-6,9,11H,1-4,7-8H2,(H2,15,16,17,19).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 310.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 3948475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).