N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide

C12H14N2O4S — CID 167431037

IUPACN-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
SMILESCOc1cscc1CC(=O)N[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O4S/c1-18-9-6-19-5-7(9)4-11(16)13-8-2-3-10(15)14-12(8)17/h5-6,8H,2-4H2,1H3,(H,13,16)(H,14,15,17)/t8-/m1/s1
InChIKeyZVWQBIZVMJGEMX-MRVPVSSYSA-N
MW282.32 g/mol
LogP0.22
Rot. Bonds4

About N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide

N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide (PubChem CID 167431037) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
PubChem CID167431037
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
SMILESCOc1cscc1CC(=O)N[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O4S/c1-18-9-6-19-5-7(9)4-11(16)13-8-2-3-10(15)14-12(8)17/h5-6,8H,2-4H2,1H3,(H,13,16)(H,14,15,17)/t8-/m1/s1
InChIKeyZVWQBIZVMJGEMX-MRVPVSSYSA-N
XLogP0.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide?
The IUPAC name of N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide (CID 167431037) is N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide.
What is the SMILES notation for N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide?
The canonical SMILES for N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide is COc1cscc1CC(=O)N[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide?
The InChIKey is ZVWQBIZVMJGEMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-18-9-6-19-5-7(9)4-11(16)13-8-2-3-10(15)14-12(8)17/h5-6,8H,2-4H2,1H3,(H,13,16)(H,14,15,17)/t8-/m1/s1.
What are the key properties of N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide?
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide has a molecular weight of 282.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide is sourced from PubChem (CID 167431037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).