N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide

C19H31N3O5S2 — CID 55965272

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H31N3O5S2/c1-4-13-28(24,25)22-12-6-5-7-17(22)19(23)20-10-11-21-29(26,27)18-14-15(2)8-9-16(18)3/h8-9,14,17,21H,4-7,10-13H2,1-3H3,(H,20,23)
InChIKeyUNRSLCMGBQFMOB-UHFFFAOYSA-N
MW445.61 g/mol
LogP1.29
Rot. Bonds9

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55965272) has the molecular formula C19H31N3O5S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55965272
Molecular FormulaC19H31N3O5S2
Molecular Weight445.61 g/mol
Exact Mass445.17
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H31N3O5S2/c1-4-13-28(24,25)22-12-6-5-7-17(22)19(23)20-10-11-21-29(26,27)18-14-15(2)8-9-16(18)3/h8-9,14,17,21H,4-7,10-13H2,1-3H3,(H,20,23)
InChIKeyUNRSLCMGBQFMOB-UHFFFAOYSA-N
XLogP1.29
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55963352
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410994
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
2,5-dimethyl-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
CID 110287592
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
1-cyclopentyl-3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methylguanidine;hydroiodide
CID 110990604
1-tert-butyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572293
(2S)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 51962435
N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
CID 45353186
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55992784
N'-[2-[(2S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-propyloxamide
CID 7280594

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55965272) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is UNRSLCMGBQFMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5S2/c1-4-13-28(24,25)22-12-6-5-7-17(22)19(23)20-10-11-21-29(26,27)18-14-15(2)8-9-16(18)3/h8-9,14,17,21H,4-7,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55965272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).