(2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide

C18H21N3O6S — CID 162677326

IUPAC(2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NO
InChIInChI=1S/C18H21N3O6S/c1-3-12(2)17(18(22)19-23)20-28(26,27)16-6-4-5-14(11-16)13-7-9-15(10-8-13)21(24)25/h4-12,17,20,23H,3H2,1-2H3,(H,19,22)/t12-,17-/m0/s1
InChIKeySHCYRIYJINYZME-SJCJKPOMSA-N
MW407.45 g/mol
LogP2.46
Rot. Bonds8

About (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide

(2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide (PubChem CID 162677326) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide
PubChem CID162677326
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name(2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NO
InChIInChI=1S/C18H21N3O6S/c1-3-12(2)17(18(22)19-23)20-28(26,27)16-6-4-5-14(11-16)13-7-9-15(10-8-13)21(24)25/h4-12,17,20,23H,3H2,1-2H3,(H,19,22)/t12-,17-/m0/s1
InChIKeySHCYRIYJINYZME-SJCJKPOMSA-N
XLogP2.46
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide?
The IUPAC name of (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide (CID 162677326) is (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide?
The canonical SMILES for (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NO.
What is the InChIKey of (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide?
The InChIKey is SHCYRIYJINYZME-SJCJKPOMSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-3-12(2)17(18(22)19-23)20-28(26,27)16-6-4-5-14(11-16)13-7-9-15(10-8-13)21(24)25/h4-12,17,20,23H,3H2,1-2H3,(H,19,22)/t12-,17-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide?
(2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide has a molecular weight of 407.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-3-methyl-2-[[3-(4-nitrophenyl)phenyl]sulfonylamino]pentanamide is sourced from PubChem (CID 162677326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).