4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide

C21H28N2O4S — CID 2215242

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-21(2,3)18-9-11-19(12-10-18)28(25,26)23-15-16-5-7-17(8-6-16)20(24)22-13-14-27-4/h5-12,23H,13-15H2,1-4H3,(H,22,24)
InChIKeyJTTRBFDPXWMICE-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.84
Rot. Bonds8

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 2215242) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID2215242
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-21(2,3)18-9-11-19(12-10-18)28(25,26)23-15-16-5-7-17(8-6-16)20(24)22-13-14-27-4/h5-12,23H,13-15H2,1-4H3,(H,22,24)
InChIKeyJTTRBFDPXWMICE-UHFFFAOYSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-sulfamoylbenzamide
CID 4347
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfonamide
CID 990581
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
CID 130431459
4-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431460
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methyl-benzamide
CID 130431474

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide (CID 2215242) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is JTTRBFDPXWMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-21(2,3)18-9-11-19(12-10-18)28(25,26)23-15-16-5-7-17(8-6-16)20(24)22-13-14-27-4/h5-12,23H,13-15H2,1-4H3,(H,22,24).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 2.84, 8 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-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2215242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).