N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide

C16H19N3O4S — CID 168987751

IUPACN-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
SMILESCc1sc(N2CCC(=O)CC2)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-9-11(8-14(24-9)19-6-4-10(20)5-7-19)15(22)17-12-2-3-13(21)18-16(12)23/h8,12H,2-7H2,1H3,(H,17,22)(H,18,21,23)
InChIKeyFQEHDRDJURUVOY-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.76
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 168987751) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
PubChem CID168987751
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
SMILESCc1sc(N2CCC(=O)CC2)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-9-11(8-14(24-9)19-6-4-10(20)5-7-19)15(22)17-12-2-3-13(21)18-16(12)23/h8,12H,2-7H2,1H3,(H,17,22)(H,18,21,23)
InChIKeyFQEHDRDJURUVOY-UHFFFAOYSA-N
XLogP0.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
CID 176705465
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
CID 156745010
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide
CID 79998735
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide (CID 168987751) is N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide is Cc1sc(N2CCC(=O)CC2)cc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is FQEHDRDJURUVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-9-11(8-14(24-9)19-6-4-10(20)5-7-19)15(22)17-12-2-3-13(21)18-16(12)23/h8,12H,2-7H2,1H3,(H,17,22)(H,18,21,23).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 168987751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).