(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide

C25H35N3O5S — CID 54534379

IUPAC(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide
SMILESCC(C)C[C@@H](C(=O)N1CCCCC1)[C@H](CN(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
InChIInChI=1S/C25H35N3O5S/c1-18(2)15-22(25(30)28-13-7-4-8-14-28)23(24(29)26-31)17-27(3)34(32,33)21-12-11-19-9-5-6-10-20(19)16-21/h5-6,9-12,16,18,22-23,31H,4,7-8,13-15,17H2,1-3H3,(H,26,29)/t22-,23+/m1/s1
InChIKeyYYTDNSUDXYVRPG-PKTZIBPZSA-N
MW489.64 g/mol
LogP3.26
Rot. Bonds9

About (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide

(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide (PubChem CID 54534379) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide.

Molecular Properties

Compound Name(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide
PubChem CID54534379
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide
SMILESCC(C)C[C@@H](C(=O)N1CCCCC1)[C@H](CN(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
InChIInChI=1S/C25H35N3O5S/c1-18(2)15-22(25(30)28-13-7-4-8-14-28)23(24(29)26-31)17-27(3)34(32,33)21-12-11-19-9-5-6-10-20(19)16-21/h5-6,9-12,16,18,22-23,31H,4,7-8,13-15,17H2,1-3H3,(H,26,29)/t22-,23+/m1/s1
InChIKeyYYTDNSUDXYVRPG-PKTZIBPZSA-N
XLogP3.26
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide?
The IUPAC name of (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide (CID 54534379) is (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide.
What is the SMILES notation for (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide?
The canonical SMILES for (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide is CC(C)C[C@@H](C(=O)N1CCCCC1)[C@H](CN(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO.
What is the InChIKey of (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide?
The InChIKey is YYTDNSUDXYVRPG-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-18(2)15-22(25(30)28-13-7-4-8-14-28)23(24(29)26-31)17-27(3)34(32,33)21-12-11-19-9-5-6-10-20(19)16-21/h5-6,9-12,16,18,22-23,31H,4,7-8,13-15,17H2,1-3H3,(H,26,29)/t22-,23+/m1/s1.
What are the key properties of (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide?
(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide has a molecular weight of 489.64 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide is sourced from PubChem (CID 54534379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).