N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide

C17H19N3O4S2 — CID 7286397

IUPACN'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O4S2/c21-16(17(22)19-13-6-2-1-3-7-13)18-12-14-8-4-10-20(14)26(23,24)15-9-5-11-25-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyIFAUROCREPMNQW-AWEZNQCLSA-N
MW393.49 g/mol
LogP1.66
Rot. Bonds5

About N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide

N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 7286397) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID7286397
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O4S2/c21-16(17(22)19-13-6-2-1-3-7-13)18-12-14-8-4-10-20(14)26(23,24)15-9-5-11-25-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyIFAUROCREPMNQW-AWEZNQCLSA-N
XLogP1.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-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

Related Compounds

N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286403
N'-(2-cyanophenyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222958
N'-(2,5-dimethylphenyl)-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286437
N'-(2,2-dimethoxyethyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222980
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 7286014
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286373
N'-(3,5-dimethylphenyl)-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195670
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933
3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286421
1-phenyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)ethanol
CID 71911232

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide (CID 7286397) is N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide is O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1.
What is the InChIKey of N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is IFAUROCREPMNQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c21-16(17(22)19-13-6-2-1-3-7-13)18-12-14-8-4-10-20(14)26(23,24)15-9-5-11-25-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 393.49 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 7286397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).