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

C18H25N3O4S — CID 18574930

IUPACN'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C18H25N3O4S/c1-12-5-6-13(2)16(10-12)26(24,25)21-9-3-4-15(21)11-19-17(22)18(23)20-14-7-8-14/h5-6,10,14-15H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyCUICZYATGHYXRO-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.85
Rot. Bonds5

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

N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 18574930) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID18574930
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C18H25N3O4S/c1-12-5-6-13(2)16(10-12)26(24,25)21-9-3-4-15(21)11-19-17(22)18(23)20-14-7-8-14/h5-6,10,14-15H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyCUICZYATGHYXRO-UHFFFAOYSA-N
XLogP0.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.85
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-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (CID 18574930) is N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is Cc1ccc(C)c(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is CUICZYATGHYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12-5-6-13(2)16(10-12)26(24,25)21-9-3-4-15(21)11-19-17(22)18(23)20-14-7-8-14/h5-6,10,14-15H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 379.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 18574930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).