N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide

C20H29N3O4S — CID 18574896

IUPACN'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)c1
InChIInChI=1S/C20H29N3O4S/c1-14-9-10-15(2)18(12-14)28(26,27)23-11-5-8-17(23)13-21-19(24)20(25)22-16-6-3-4-7-16/h9-10,12,16-17H,3-8,11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBGWGLAXZCBMEHV-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.63
Rot. Bonds5

About N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide

N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 18574896) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID18574896
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)c1
InChIInChI=1S/C20H29N3O4S/c1-14-9-10-15(2)18(12-14)28(26,27)23-11-5-8-17(23)13-21-19(24)20(25)22-16-6-3-4-7-16/h9-10,12,16-17H,3-8,11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBGWGLAXZCBMEHV-UHFFFAOYSA-N
XLogP1.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (CID 18574896) is N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is Cc1ccc(C)c(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)c1.
What is the InChIKey of N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is BGWGLAXZCBMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-14-9-10-15(2)18(12-14)28(26,27)23-11-5-8-17(23)13-21-19(24)20(25)22-16-6-3-4-7-16/h9-10,12,16-17H,3-8,11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 407.54 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 18574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).