N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide

C17H19N3O7S — CID 23645536

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-3-5-14(6-4-13)20(23)24)28(25,26)16-9-7-15(27-2)8-10-16/h3-10,12,22H,11H2,1-2H3,(H,18,21)
InChIKeyHLJHTDAQDAFOFS-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.69
Rot. Bonds8

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide (PubChem CID 23645536) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
PubChem CID23645536
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-3-5-14(6-4-13)20(23)24)28(25,26)16-9-7-15(27-2)8-10-16/h3-10,12,22H,11H2,1-2H3,(H,18,21)
InChIKeyHLJHTDAQDAFOFS-UHFFFAOYSA-N
XLogP1.69
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
MMP-3 Inhibitor VIII
CID 10549329
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
N-hydroxy-2-[[4-methoxybenzenesulfonyl](4-methoxybenzyl)amino]acetamide
CID 10691191
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(methylsulfanyl)butanamide
CID 10693625
N-hydroxy-2-[(4-methoxybenzene)[(3-methoxyphenyl)methyl]sulfonamido]acetamide
CID 10714796
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-methylpentanamide
CID 10787514
Hydroxamate 33
CID 10810684

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide (CID 23645536) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide is COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The InChIKey is HLJHTDAQDAFOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-3-5-14(6-4-13)20(23)24)28(25,26)16-9-7-15(27-2)8-10-16/h3-10,12,22H,11H2,1-2H3,(H,18,21).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide has a molecular weight of 409.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide is sourced from PubChem (CID 23645536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).