N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide

C12H14N2O4S — CID 156745010

IUPACN-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
SMILESCOc1csc(C)c1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O4S/c1-6-10(8(18-2)5-19-6)12(17)13-7-3-4-9(15)14-11(7)16/h5,7H,3-4H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyLDFYMACTUHKJRK-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.60
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide (PubChem CID 156745010) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
PubChem CID156745010
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
SMILESCOc1csc(C)c1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O4S/c1-6-10(8(18-2)5-19-6)12(17)13-7-3-4-9(15)14-11(7)16/h5,7H,3-4H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyLDFYMACTUHKJRK-UHFFFAOYSA-N
XLogP0.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
CID 167431037
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
CID 156551077
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide
CID 174330620
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 146129250
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 171846872
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
CID 165136668

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide (CID 156745010) is N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide is COc1csc(C)c1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide?
The InChIKey is LDFYMACTUHKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-6-10(8(18-2)5-19-6)12(17)13-7-3-4-9(15)14-11(7)16/h5,7H,3-4H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide is sourced from PubChem (CID 156745010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).