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

C19H27N3O4S — CID 18574402

IUPACN'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-5-9-17(10-6-14)27(25,26)22-13-3-2-4-16(22)11-12-20-18(23)19(24)21-15-7-8-15/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyQIHOXAJXUZJXNI-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.32
Rot. Bonds6

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

N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 18574402) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID18574402
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-5-9-17(10-6-14)27(25,26)22-13-3-2-4-16(22)11-12-20-18(23)19(24)21-15-7-8-15/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyQIHOXAJXUZJXNI-UHFFFAOYSA-N
XLogP1.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.32
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-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 18574402) is N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1ccc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is QIHOXAJXUZJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-5-9-17(10-6-14)27(25,26)22-13-3-2-4-16(22)11-12-20-18(23)19(24)21-15-7-8-15/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-cyclopropyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 393.51 g/mol, XLogP of 1.32, 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-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 18574402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).