methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate

C11H16N2O3S — CID 11832039

IUPACmethyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate
SMILESCOC(=O)CCCCc1cc(NC(N)=O)cs1
InChIInChI=1S/C11H16N2O3S/c1-16-10(14)5-3-2-4-9-6-8(7-17-9)13-11(12)15/h6-7H,2-5H2,1H3,(H3,12,13,15)
InChIKeyPLVGXOZVGCYFFL-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.12
Rot. Bonds6

About methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate

methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate (PubChem CID 11832039) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate
PubChem CID11832039
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate
SMILESCOC(=O)CCCCc1cc(NC(N)=O)cs1
InChIInChI=1S/C11H16N2O3S/c1-16-10(14)5-3-2-4-9-6-8(7-17-9)13-11(12)15/h6-7H,2-5H2,1H3,(H3,12,13,15)
InChIKeyPLVGXOZVGCYFFL-UHFFFAOYSA-N
XLogP2.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate?
The IUPAC name of methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate (CID 11832039) is methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate.
What is the SMILES notation for methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate?
The canonical SMILES for methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate is COC(=O)CCCCc1cc(NC(N)=O)cs1.
What is the InChIKey of methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate?
The InChIKey is PLVGXOZVGCYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-10(14)5-3-2-4-9-6-8(7-17-9)13-11(12)15/h6-7H,2-5H2,1H3,(H3,12,13,15).
What are the key properties of methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate?
methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate has a molecular weight of 256.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate is sourced from PubChem (CID 11832039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).