N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide

C17H23N3O5S — CID 7286315

IUPACN'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C17H23N3O5S/c1-25-14-6-8-15(9-7-14)26(23,24)20-10-2-3-13(20)11-18-16(21)17(22)19-12-4-5-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyKVLLYKPJJXQBNM-CYBMUJFWSA-N
MW381.45 g/mol
LogP0.24
Rot. Bonds6

About N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide

N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 7286315) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID7286315
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C17H23N3O5S/c1-25-14-6-8-15(9-7-14)26(23,24)20-10-2-3-13(20)11-18-16(21)17(22)19-12-4-5-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyKVLLYKPJJXQBNM-CYBMUJFWSA-N
XLogP0.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286154
N-[2-(diethylamino)ethyl]-N'-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16812794
N'-(3,5-dimethylphenyl)-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829914
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222672
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
CID 18574773
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927
N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
N-(2-hydroxyethyl)-N'-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286174
S-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl] ethanethioate
CID 15895345

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (CID 7286315) is N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is KVLLYKPJJXQBNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-25-14-6-8-15(9-7-14)26(23,24)20-10-2-3-13(20)11-18-16(21)17(22)19-12-4-5-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,21)(H,19,22)/t13-/m1/s1.
What are the key properties of N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 381.45 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 7286315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).