1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide

C20H32N4O6S2 — CID 133240658

IUPAC1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C20H32N4O6S2/c1-22(2)32(28,29)24-14-5-6-17(16-24)20(25)21-11-15-30-18-7-9-19(10-8-18)31(26,27)23-12-3-4-13-23/h7-10,17H,3-6,11-16H2,1-2H3,(H,21,25)
InChIKeyIBWPMWLJXRVZPA-UHFFFAOYSA-N
MW488.63 g/mol
LogP0.48
Rot. Bonds9

About 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 133240658) has the molecular formula C20H32N4O6S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
PubChem CID133240658
Molecular FormulaC20H32N4O6S2
Molecular Weight488.63 g/mol
Exact Mass488.18
IUPAC Name1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C20H32N4O6S2/c1-22(2)32(28,29)24-14-5-6-17(16-24)20(25)21-11-15-30-18-7-9-19(10-8-18)31(26,27)23-12-3-4-13-23/h7-10,17H,3-6,11-16H2,1-2H3,(H,21,25)
InChIKeyIBWPMWLJXRVZPA-UHFFFAOYSA-N
XLogP0.48
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 133239624
1-methylsulfonyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
CID 133234738
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
1-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55511669
1-(4-bromophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 24637927
(3S)-N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125084362
N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133252137
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
CID 133240639
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
1-(4-methoxyphenyl)sulfonyl-N-[2-(4-propylphenoxy)ethyl]piperidine-3-carboxamide
CID 133164395
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 7263242

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide (CID 133240658) is 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is IBWPMWLJXRVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O6S2/c1-22(2)32(28,29)24-14-5-6-17(16-24)20(25)21-11-15-30-18-7-9-19(10-8-18)31(26,27)23-12-3-4-13-23/h7-10,17H,3-6,11-16H2,1-2H3,(H,21,25).
What are the key properties of 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 133240658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).