N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide

C19H27N3O4S — CID 16829856

IUPACN'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-8-10-17(11-9-14)27(25,26)22-12-4-7-16(22)13-20-18(23)19(24)21-15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyDYKQORONMPVXPO-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.32
Rot. Bonds5

About N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide

N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 16829856) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID16829856
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-8-10-17(11-9-14)27(25,26)22-12-4-7-16(22)13-20-18(23)19(24)21-15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyDYKQORONMPVXPO-UHFFFAOYSA-N
XLogP1.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'}

Analyze N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (CID 16829856) is N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is Cc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is DYKQORONMPVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-8-10-17(11-9-14)27(25,26)22-12-4-7-16(22)13-20-18(23)19(24)21-15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
N'-cyclopentyl-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 393.51 g/mol, XLogP of 1.32, 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-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 16829856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).