(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide

C14H20N2O5S — CID 71816508

IUPAC(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C14H20N2O5S/c1-21-12-6-4-11(5-7-12)8-10-22(19,20)16-9-2-3-13(16)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyBLXHYKZAZZIQOC-CYBMUJFWSA-N
MW328.39 g/mol
LogP0.54
Rot. Bonds6

About (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide

(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide (PubChem CID 71816508) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
PubChem CID71816508
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C14H20N2O5S/c1-21-12-6-4-11(5-7-12)8-10-22(19,20)16-9-2-3-13(16)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyBLXHYKZAZZIQOC-CYBMUJFWSA-N
XLogP0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide 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

methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]ethylsulfonyl]-6-methyl-4,5-dihydro-3H-pyridazine-3-carboxamide
CID 139888497
1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624660
1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55431186
1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24663628
N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55920395
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24619724
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide (CID 71816508) is (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide is COc1ccc(CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is BLXHYKZAZZIQOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-21-12-6-4-11(5-7-12)8-10-22(19,20)16-9-2-3-13(16)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71816508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).