(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H23N3O6S — CID 101015317

IUPAC(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NO)c(C)c1
InChIInChI=1S/C19H23N3O6S/c1-12-9-13(2)18(14(3)10-12)29(27,28)21(15(4)19(23)20-24)11-16-5-7-17(8-6-16)22(25)26/h5-10,15,24H,11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyVKZSSQAFWGLMLC-HNNXBMFYSA-N
MW421.48 g/mol
LogP2.60
Rot. Bonds7

About (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide

(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 101015317) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID101015317
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NO)c(C)c1
InChIInChI=1S/C19H23N3O6S/c1-12-9-13(2)18(14(3)10-12)29(27,28)21(15(4)19(23)20-24)11-16-5-7-17(8-6-16)22(25)26/h5-10,15,24H,11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyVKZSSQAFWGLMLC-HNNXBMFYSA-N
XLogP2.60
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
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'}

Analyze (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide 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

(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
CID 101015307
[4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]methyl]phenyl]methylazanium
CID 117072122
(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 122196501
(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfanylamino]propanamide
CID 177428235
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126377097
N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11166154
2-(4-nitrophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 61056907
N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
CID 23148382
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10550145
N-ethyl-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132678536

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 101015317) is (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NO)c(C)c1.
What is the InChIKey of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is VKZSSQAFWGLMLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-12-9-13(2)18(14(3)10-12)29(27,28)21(15(4)19(23)20-24)11-16-5-7-17(8-6-16)22(25)26/h5-10,15,24H,11H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 421.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 101015317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).