(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide

C23H37N3O6S — CID 54365569

IUPAC(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H37N3O6S/c1-17(2)16-21(23(28)26-13-6-5-7-14-26)20(22(27)24-29)12-15-25(3)33(30,31)19-10-8-18(32-4)9-11-19/h8-11,17,20-21,29H,5-7,12-16H2,1-4H3,(H,24,27)/t20-,21+/m0/s1
InChIKeyUPNJLHKRSPLWHE-LEWJYISDSA-N
MW483.63 g/mol
LogP2.50
Rot. Bonds11

About (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide

(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide (PubChem CID 54365569) has the molecular formula C23H37N3O6S and a molecular weight of 483.63 g/mol. Its IUPAC name is (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide.

Molecular Properties

Compound Name(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide
PubChem CID54365569
Molecular FormulaC23H37N3O6S
Molecular Weight483.63 g/mol
Exact Mass483.24
IUPAC Name(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H37N3O6S/c1-17(2)16-21(23(28)26-13-6-5-7-14-26)20(22(27)24-29)12-15-25(3)33(30,31)19-10-8-18(32-4)9-11-19/h8-11,17,20-21,29H,5-7,12-16H2,1-4H3,(H,24,27)/t20-,21+/m0/s1
InChIKeyUPNJLHKRSPLWHE-LEWJYISDSA-N
XLogP2.50
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 52.50
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'}

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Related Compounds

(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide
CID 54534379
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 133265243
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795
tert-butyl N-[1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-(4-methoxyphenyl)sulfonylcarbamate
CID 10597997
N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide
CID 18397257
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55358316
(2S,3R)-3-[[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-hydroxy-5-methyl-2-(piperidine-1-carbonyl)hexanamide
CID 57289933
3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 22612442
2-[[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 22121984
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
CID 22907097
4-[3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylic acid
CID 57290520

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide?
The IUPAC name of (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide (CID 54365569) is (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide.
What is the SMILES notation for (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide?
The canonical SMILES for (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide is COc1ccc(S(=O)(=O)N(C)CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide?
The InChIKey is UPNJLHKRSPLWHE-LEWJYISDSA-N. The full InChI is InChI=1S/C23H37N3O6S/c1-17(2)16-21(23(28)26-13-6-5-7-14-26)20(22(27)24-29)12-15-25(3)33(30,31)19-10-8-18(32-4)9-11-19/h8-11,17,20-21,29H,5-7,12-16H2,1-4H3,(H,24,27)/t20-,21+/m0/s1.
What are the key properties of (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide?
(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide has a molecular weight of 483.63 g/mol, XLogP of 2.50, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide is sourced from PubChem (CID 54365569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).