4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide

C19H24N2O4S — CID 17439202

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
SMILESCONC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)16-9-11-17(12-10-16)26(23,24)20-13-14-5-7-15(8-6-14)18(22)21-25-4/h5-12,20H,13H2,1-4H3,(H,21,22)
InChIKeyJRIRJNMLYACMNP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.75
Rot. Bonds6

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide (PubChem CID 17439202) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
PubChem CID17439202
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
SMILESCONC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)16-9-11-17(12-10-16)26(23,24)20-13-14-5-7-15(8-6-14)18(22)21-25-4/h5-12,20H,13H2,1-4H3,(H,21,22)
InChIKeyJRIRJNMLYACMNP-UHFFFAOYSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
CID 41070240
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55843166
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 55498792
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
CID 16511656
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide
CID 50913581
4-tert-butyl-N-[[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 42452992
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide (CID 17439202) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide is CONC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide?
The InChIKey is JRIRJNMLYACMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)16-9-11-17(12-10-16)26(23,24)20-13-14-5-7-15(8-6-14)18(22)21-25-4/h5-12,20H,13H2,1-4H3,(H,21,22).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide has a molecular weight of 376.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide is sourced from PubChem (CID 17439202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).