(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide

C20H31N3O5S — CID 10764871

IUPAC(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C20H31N3O5S/c1-2-3-4-5-16-6-8-18(9-7-16)29(26,27)23-15-17(14-19(23)20(24)21-25)22-10-12-28-13-11-22/h6-9,17,19,25H,2-5,10-15H2,1H3,(H,21,24)/t17-,19+/m0/s1
InChIKeyOQWMKRBWGAJEGE-PKOBYXMFSA-N
MW425.55 g/mol
LogP1.39
Rot. Bonds8

About (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10764871) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10764871
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C20H31N3O5S/c1-2-3-4-5-16-6-8-18(9-7-16)29(26,27)23-15-17(14-19(23)20(24)21-25)22-10-12-28-13-11-22/h6-9,17,19,25H,2-5,10-15H2,1H3,(H,21,24)/t17-,19+/m0/s1
InChIKeyOQWMKRBWGAJEGE-PKOBYXMFSA-N
XLogP1.39
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]benzene-1-sulfonamide
CID 16125613
1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10693592
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 2997632
(S)-N-propyl-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 7679666
3-Methyl-2-(4-methylbenzenesulfonamido)-N-[3-(morpholin-4-YL)propyl]pentanamide
CID 20970535
(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide
CID 44576631
(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,11-dioxa-2-azaspiro[4.6]undecane-3-carboxamide
CID 44576632
N1-(2-morpholinoethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16810217
(2S)-N-(2-methoxyethyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 17574020
N-ethyl-2-oxo-2-(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 18577950
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 24819756
(2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 57391413

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10764871) is (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide is CCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is OQWMKRBWGAJEGE-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-2-3-4-5-16-6-8-18(9-7-16)29(26,27)23-15-17(14-19(23)20(24)21-25)22-10-12-28-13-11-22/h6-9,17,19,25H,2-5,10-15H2,1H3,(H,21,24)/t17-,19+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 1.39, 8 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-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10764871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).