N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide

C18H17N3O5S2 — CID 56586749

IUPACN-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)CC1)c1cccs1
InChIInChI=1S/C18H17N3O5S2/c22-16-13-4-3-12(10-14(13)17(23)20-16)28(25,26)21-7-5-11(6-8-21)19-18(24)15-2-1-9-27-15/h1-4,9-11H,5-8H2,(H,19,24)(H,20,22,23)
InChIKeyAVGWJCMRASMACP-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.21
Rot. Bonds4

About N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide

N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide (PubChem CID 56586749) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
PubChem CID56586749
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC NameN-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)CC1)c1cccs1
InChIInChI=1S/C18H17N3O5S2/c22-16-13-4-3-12(10-14(13)17(23)20-16)28(25,26)21-7-5-11(6-8-21)19-18(24)15-2-1-9-27-15/h1-4,9-11H,5-8H2,(H,19,24)(H,20,22,23)
InChIKeyAVGWJCMRASMACP-UHFFFAOYSA-N
XLogP1.21
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.21
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-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108561420
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-(1,3-dioxoisoindol-5-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935227
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 91924014
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826406

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide (CID 56586749) is N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)CC1)c1cccs1.
What is the InChIKey of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is AVGWJCMRASMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c22-16-13-4-3-12(10-14(13)17(23)20-16)28(25,26)21-7-5-11(6-8-21)19-18(24)15-2-1-9-27-15/h1-4,9-11H,5-8H2,(H,19,24)(H,20,22,23).
What are the key properties of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56586749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).