(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide

C16H25N3O7S2 — CID 11797154

IUPAC(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide
SMILESCCCN([C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1)S(C)(=O)=O
InChIInChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1
InChIKeyCPBPQYOAJUZJNL-SWLSCSKDSA-N
MW435.52 g/mol
LogP0.00
Rot. Bonds8

About (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide (PubChem CID 11797154) has the molecular formula C16H25N3O7S2 and a molecular weight of 435.52 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide
PubChem CID11797154
Molecular FormulaC16H25N3O7S2
Molecular Weight435.52 g/mol
Exact Mass435.11
IUPAC Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide
SMILESCCCN([C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1)S(C)(=O)=O
InChIInChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1
InChIKeyCPBPQYOAJUZJNL-SWLSCSKDSA-N
XLogP0.00
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]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

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide (CID 11797154) is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide is CCCN([C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1)S(C)(=O)=O.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is CPBPQYOAJUZJNL-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(propyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11797154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).