N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C22H33N3O4S — CID 16829787

IUPACN'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CCCC2)c1
InChIInChI=1S/C22H33N3O4S/c1-16-10-11-17(2)20(15-16)30(28,29)25-14-6-5-9-19(25)12-13-23-21(26)22(27)24-18-7-3-4-8-18/h10-11,15,18-19H,3-9,12-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAYNXALIZEFZYKL-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.41
Rot. Bonds6

About N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 16829787) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID16829787
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CCCC2)c1
InChIInChI=1S/C22H33N3O4S/c1-16-10-11-17(2)20(15-16)30(28,29)25-14-6-5-9-19(25)12-13-23-21(26)22(27)24-18-7-3-4-8-18/h10-11,15,18-19H,3-9,12-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAYNXALIZEFZYKL-UHFFFAOYSA-N
XLogP2.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852268
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
N-cyclopentyl-2-(4-methylbenzenesulfonamido)acetamide
CID 3242550
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 3619774
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389497
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005878
N1-benzyl-N2-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829994
N1-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)-N2-phenethyloxalamide
CID 16830012
N1-cyclohexyl-N2-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562559
N1-benzyl-N2-(2-(1-(phenylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574262
N1-cyclopentyl-N2-(2-(1-tosylpiperidin-2-yl)ethyl)oxalamide
CID 18574364

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 16829787) is N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CCCC2)c1.
What is the InChIKey of N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is AYNXALIZEFZYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-16-10-11-17(2)20(15-16)30(28,29)25-14-6-5-9-19(25)12-13-23-21(26)22(27)24-18-7-3-4-8-18/h10-11,15,18-19H,3-9,12-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 435.59 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 16829787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).