N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide

C11H14N2O4S — CID 77015312

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide
SMILESCC(=NO)c1ccc(NC(=O)CS(C)(=O)=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-8(13-15)9-3-5-10(6-4-9)12-11(14)7-18(2,16)17/h3-6,15H,7H2,1-2H3,(H,12,14)
InChIKeyZJHFFJTWTWONHI-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.87
Rot. Bonds4

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide (PubChem CID 77015312) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide
PubChem CID77015312
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide
SMILESCC(=NO)c1ccc(NC(=O)CS(C)(=O)=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-8(13-15)9-3-5-10(6-4-9)12-11(14)7-18(2,16)17/h3-6,15H,7H2,1-2H3,(H,12,14)
InChIKeyZJHFFJTWTWONHI-UHFFFAOYSA-N
XLogP0.87
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.87
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'}

Analyze N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide 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

4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 60693118
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519547
4,4,4-trifluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]butanamide
CID 77099417
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326
2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 103163862
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
N-[4-(2-chloroethyl)phenyl]-2-methylsulfonylacetamide
CID 114299169
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
4-[4-(N-hydroxy-C-methylcarbonimidoyl)anilino]-4-oxobut-2-enoic acid
CID 4195955

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide (CID 77015312) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide is CC(=NO)c1ccc(NC(=O)CS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide?
The InChIKey is ZJHFFJTWTWONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8(13-15)9-3-5-10(6-4-9)12-11(14)7-18(2,16)17/h3-6,15H,7H2,1-2H3,(H,12,14).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide has a molecular weight of 270.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 77015312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).