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

C17H19N3O5S — CID 164540214

IUPACN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
SMILESCc1sc(N2CCC(=O)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C17H19N3O5S/c1-10-12(8-15(26-10)19-6-4-11(22)5-7-19)17(25)20(9-21)13-2-3-14(23)18-16(13)24/h8-9,13H,2-7H2,1H3,(H,18,23,24)
InChIKeyIFKHNMLPTHWZSK-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.63
Rot. Bonds4

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

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 164540214) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
PubChem CID164540214
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
SMILESCc1sc(N2CCC(=O)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C17H19N3O5S/c1-10-12(8-15(26-10)19-6-4-11(22)5-7-19)17(25)20(9-21)13-2-3-14(23)18-16(13)24/h8-9,13H,2-7H2,1H3,(H,18,23,24)
InChIKeyIFKHNMLPTHWZSK-UHFFFAOYSA-N
XLogP0.63
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

(2-Methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 91216608
2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
CID 126624199
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide
CID 156745125
N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
CID 166155249
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde
CID 168987750
N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione
CID 168987753
N-(2,6-dioxopiperidin-3-yl)-5-methyl-2-(methylamino)thiophene-3-carboxamide
CID 169660482
5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide
CID 171788960
N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide
CID 35363066
N-[5-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 39464898
2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide
CID 39487620

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide (CID 164540214) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide is Cc1sc(N2CCC(=O)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is IFKHNMLPTHWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-10-12(8-15(26-10)19-6-4-11(22)5-7-19)17(25)20(9-21)13-2-3-14(23)18-16(13)24/h8-9,13H,2-7H2,1H3,(H,18,23,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 164540214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).