(2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

C20H21N3O6S — CID 11849846

IUPAC(2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1
InChIKeyJLPUIHKUXSGYKB-LRTDYKAYSA-N
MW431.47 g/mol
LogP1.67
Rot. Bonds8

About (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 11849846) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID11849846
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name(2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1
InChIKeyJLPUIHKUXSGYKB-LRTDYKAYSA-N
XLogP1.67
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)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

2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346615
Cyclohexanecarboxylic acid [1-(3-nitro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 3218809
(R)-1-(2-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 11849705
(R)-1-(4-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 11849751
(2R)-N-[3,4-dioxo-1-phenyl-4-(2-phenylethylamino)butan-2-yl]-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11849757
N1-((3-((4-nitrophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-phenethyloxalamide
CID 16187114
3-[2-[4-(3-Nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25162257
Chromozym PL
CID 4169197
Tos-gly-pro-lys-pna
CID 16220038
5-Mercapto-1,3,4-thiadiazole 12i
CID 23645865
1-[(3-Nitrophenyl)sulfonyl]-4-(phenylacetyl)piperazine
CID 2945019
(2S)-2-[(3-nitrophenyl)sulfonylamino]-N-[(2S)-1-oxo-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propan-2-yl]-3-phenylpropanamide
CID 90663078

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CID 11849846) is (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JLPUIHKUXSGYKB-LRTDYKAYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1.
What are the key properties of (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-nitrophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11849846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).