N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C21H31N3O4S — CID 18574364

IUPACN'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C21H31N3O4S/c1-16-9-11-19(12-10-16)29(27,28)24-15-5-4-8-18(24)13-14-22-20(25)21(26)23-17-6-2-3-7-17/h9-12,17-18H,2-8,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyWAALOZBLDCSXRC-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.10
Rot. Bonds6

About N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 18574364) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID18574364
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C21H31N3O4S/c1-16-9-11-19(12-10-16)29(27,28)24-15-5-4-8-18(24)13-14-22-20(25)21(26)23-17-6-2-3-7-17/h9-12,17-18H,2-8,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyWAALOZBLDCSXRC-UHFFFAOYSA-N
XLogP2.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.10
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

N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 53360054
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
CID 57392940
N-[(4S)-1-cyclopentyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57392941
N-[(4S)-1-ethyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57396446
N-[(4S)-3,3-dimethyl-1-propylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57398235
N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57398236
N-[(4S)-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57403391
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 168274001
N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894343
N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2229748

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 18574364) is N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1ccc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is WAALOZBLDCSXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-16-9-11-19(12-10-16)29(27,28)24-15-5-4-8-18(24)13-14-22-20(25)21(26)23-17-6-2-3-7-17/h9-12,17-18H,2-8,13-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-cyclopentyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 421.56 g/mol, XLogP of 2.10, 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-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 18574364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).