N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C21H31N3O4S — CID 18574430

IUPACN'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C21H31N3O4S/c1-14-12-15(2)19(16(3)13-14)29(27,28)24-11-5-4-6-18(24)9-10-22-20(25)21(26)23-17-7-8-17/h12-13,17-18H,4-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMRIOXODCCNRHAQ-UHFFFAOYSA-N
MW421.56 g/mol
LogP1.94
Rot. Bonds6

About N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 18574430) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID18574430
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C21H31N3O4S/c1-14-12-15(2)19(16(3)13-14)29(27,28)24-11-5-4-6-18(24)9-10-22-20(25)21(26)23-17-7-8-17/h12-13,17-18H,4-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMRIOXODCCNRHAQ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432
N~1~-cycloheptyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894193
N,2,4,6-tetramethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 969832

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 18574430) is N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1cc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)c(C)c1.
What is the InChIKey of N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is MRIOXODCCNRHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-14-12-15(2)19(16(3)13-14)29(27,28)24-11-5-4-6-18(24)9-10-22-20(25)21(26)23-17-7-8-17/h12-13,17-18H,4-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 421.56 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 18574430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).