(2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C19H29N3O5S — CID 10549577

IUPAC(2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C19H29N3O5S/c1-2-12-27-16-6-8-17(9-7-16)28(25,26)22-14-15(13-18(22)19(23)20-24)21-10-4-3-5-11-21/h6-9,15,18,24H,2-5,10-14H2,1H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyHAIGFFSNUYJTQK-MAUKXSAKSA-N
MW411.52 g/mol
LogP1.60
Rot. Bonds7

About (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10549577) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10549577
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name(2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C19H29N3O5S/c1-2-12-27-16-6-8-17(9-7-16)28(25,26)22-14-15(13-18(22)19(23)20-24)21-10-4-3-5-11-21/h6-9,15,18,24H,2-5,10-14H2,1H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyHAIGFFSNUYJTQK-MAUKXSAKSA-N
XLogP1.60
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-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

Apratastat
CID 11452716
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 5288615
4-((4-((4-Aminobut-2-ynyl)oxy)phenyl)sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 6102708
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide
CID 10667012
N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
N-hydroxy-2-[[4-hexyloxybenzenesulfonyl](isobutyl)amino]acetamide
CID 10738924
2-[(4-butoxybenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10784639
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide
CID 10805349
N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide
CID 10829071

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10549577) is (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide is CCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is HAIGFFSNUYJTQK-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-2-12-27-16-6-8-17(9-7-16)28(25,26)22-14-15(13-18(22)19(23)20-24)21-10-4-3-5-11-21/h6-9,15,18,24H,2-5,10-14H2,1H3,(H,20,23)/t15-,18+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10549577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).