N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C18H17N3O5S2 — CID 16826406

IUPACN-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C18H17N3O5S2/c22-16-12-7-6-11(10-13(12)17(23)20-16)19-18(24)14-4-1-2-8-21(14)28(25,26)15-5-3-9-27-15/h3,5-7,9-10,14H,1-2,4,8H2,(H,19,24)(H,20,22,23)
InChIKeyLTWHQSBONXGLLT-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.81
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 16826406) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
PubChem CID16826406
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C18H17N3O5S2/c22-16-12-7-6-11(10-13(12)17(23)20-16)19-18(24)14-4-1-2-8-21(14)28(25,26)15-5-3-9-27-15/h3,5-7,9-10,14H,1-2,4,8H2,(H,19,24)(H,20,22,23)
InChIKeyLTWHQSBONXGLLT-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-methyl-1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830717
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
CID 25303397
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
(2S)-N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894563
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555653
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826295
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 16826406) is N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is O=C1NC(=O)c2cc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The InChIKey is LTWHQSBONXGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c22-16-12-7-6-11(10-13(12)17(23)20-16)19-18(24)14-4-1-2-8-21(14)28(25,26)15-5-3-9-27-15/h3,5-7,9-10,14H,1-2,4,8H2,(H,19,24)(H,20,22,23).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 16826406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).