[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C18H21N3O7S3 — CID 4317510

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H21N3O7S3/c19-30(24,25)15-4-1-3-14(11-15)20-16(22)12-28-18(23)13-6-8-21(9-7-13)31(26,27)17-5-2-10-29-17/h1-5,10-11,13H,6-9,12H2,(H,20,22)(H2,19,24,25)
InChIKeyVJCCSLOXQXCHDY-UHFFFAOYSA-N
MW487.58 g/mol
LogP0.98
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 4317510) has the molecular formula C18H21N3O7S3 and a molecular weight of 487.58 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID4317510
Molecular FormulaC18H21N3O7S3
Molecular Weight487.58 g/mol
Exact Mass487.05
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H21N3O7S3/c19-30(24,25)15-4-1-3-14(11-15)20-16(22)12-28-18(23)13-6-8-21(9-7-13)31(26,27)17-5-2-10-29-17/h1-5,10-11,13H,6-9,12H2,(H,20,22)(H2,19,24,25)
InChIKeyVJCCSLOXQXCHDY-UHFFFAOYSA-N
XLogP0.98
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 4830718
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4968483
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5797348
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 18228160
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24687499
[2-(3-Acetylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2114248
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2358374

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 4317510) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is VJCCSLOXQXCHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O7S3/c19-30(24,25)15-4-1-3-14(11-15)20-16(22)12-28-18(23)13-6-8-21(9-7-13)31(26,27)17-5-2-10-29-17/h1-5,10-11,13H,6-9,12H2,(H,20,22)(H2,19,24,25).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 4317510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).