N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C19H26FN3O4S — CID 18574566

IUPACN'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)ccc1F
InChIInChI=1S/C19H26FN3O4S/c1-13-12-16(7-8-17(13)20)28(26,27)23-11-3-2-4-15(23)9-10-21-18(24)19(25)22-14-5-6-14/h7-8,12,14-15H,2-6,9-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyMMPUCGNECUHJLJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.46
Rot. Bonds6

About N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 18574566) has the molecular formula C19H26FN3O4S and a molecular weight of 411.50 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID18574566
Molecular FormulaC19H26FN3O4S
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC NameN'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)ccc1F
InChIInChI=1S/C19H26FN3O4S/c1-13-12-16(7-8-17(13)20)28(26,27)23-11-3-2-4-15(23)9-10-21-18(24)19(25)22-14-5-6-14/h7-8,12,14-15H,2-6,9-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyMMPUCGNECUHJLJ-UHFFFAOYSA-N
XLogP1.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 18574566) is N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)ccc1F.
What is the InChIKey of N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is MMPUCGNECUHJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4S/c1-13-12-16(7-8-17(13)20)28(26,27)23-11-3-2-4-15(23)9-10-21-18(24)19(25)22-14-5-6-14/h7-8,12,14-15H,2-6,9-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-cyclopropyl-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 411.50 g/mol, XLogP of 1.46, 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-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 18574566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).