N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide

C17H18N4O7S — CID 10550145

IUPACN-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O7S/c1-12-2-8-15(9-3-12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-4-6-14(7-5-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyWEACEEZKOJLZFG-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.31
Rot. Bonds7

About N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10550145) has the molecular formula C17H18N4O7S and a molecular weight of 422.42 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10550145
Molecular FormulaC17H18N4O7S
Molecular Weight422.42 g/mol
Exact Mass422.09
IUPAC NameN-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O7S/c1-12-2-8-15(9-3-12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-4-6-14(7-5-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyWEACEEZKOJLZFG-UHFFFAOYSA-N
XLogP1.31
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
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'}

Analyze N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide 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

N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10721904
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
1-methyl-4-[(4-nitrophenyl)methylsulfonyl]benzene
CID 800082
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 118070261
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10550145) is N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide is Cc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is WEACEEZKOJLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O7S/c1-12-2-8-15(9-3-12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-4-6-14(7-5-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 422.42 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10550145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).