N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide

C12H16N2O4S — CID 104519551

IUPACN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
SMILESC/C(=N\O)c1ccccc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-8(14-16)10-6-4-5-7-11(10)13-12(15)9(2)19(3,17)18/h4-7,9,16H,1-3H3,(H,13,15)/b14-8+
InChIKeyRJGRIIKTQAYVBM-RIYZIHGNSA-N
MW284.34 g/mol
LogP1.26
Rot. Bonds4

About N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide (PubChem CID 104519551) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
PubChem CID104519551
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
SMILESC/C(=N\O)c1ccccc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-8(14-16)10-6-4-5-7-11(10)13-12(15)9(2)19(3,17)18/h4-7,9,16H,1-3H3,(H,13,15)/b14-8+
InChIKeyRJGRIIKTQAYVBM-RIYZIHGNSA-N
XLogP1.26
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
CID 24707294
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519547
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
CID 24702530
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
CID 102562893
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707
2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
CID 104517879
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide
CID 77046511

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide (CID 104519551) is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide is C/C(=N\O)c1ccccc1NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide?
The InChIKey is RJGRIIKTQAYVBM-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(14-16)10-6-4-5-7-11(10)13-12(15)9(2)19(3,17)18/h4-7,9,16H,1-3H3,(H,13,15)/b14-8+.
What are the key properties of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide?
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide has a molecular weight of 284.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 104519551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).