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

C20H29N3O4S — CID 18574594

IUPACN'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C20H29N3O4S/c1-14-6-7-15(2)18(13-14)28(26,27)23-12-4-3-5-17(23)10-11-21-19(24)20(25)22-16-8-9-16/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXNPGFAYNFCLIEJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.63
Rot. Bonds6

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

N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 18574594) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID18574594
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C20H29N3O4S/c1-14-6-7-15(2)18(13-14)28(26,27)23-12-4-3-5-17(23)10-11-21-19(24)20(25)22-16-8-9-16/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXNPGFAYNFCLIEJ-UHFFFAOYSA-N
XLogP1.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.63
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-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 18574594) is N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is XNPGFAYNFCLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-14-6-7-15(2)18(13-14)28(26,27)23-12-4-3-5-17(23)10-11-21-19(24)20(25)22-16-8-9-16/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-cyclopropyl-N-[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 407.54 g/mol, XLogP of 1.63, 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-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 18574594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).