4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide

C21H28N2O5S — CID 20854193

IUPAC4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCOC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O5S/c1-16(2)28-14-4-13-22-21(24)18-7-5-17(6-8-18)15-23-29(25,26)20-11-9-19(27-3)10-12-20/h5-12,16,23H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyLOZLXEVWLZGEJP-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.72
Rot. Bonds11

About 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide

4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 20854193) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID20854193
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCOC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O5S/c1-16(2)28-14-4-13-22-21(24)18-7-5-17(6-8-18)15-23-29(25,26)20-11-9-19(27-3)10-12-20/h5-12,16,23H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyLOZLXEVWLZGEJP-UHFFFAOYSA-N
XLogP2.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479402
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N,N-bis(2-methylpropyl)benzamide
CID 20854207
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide (CID 20854193) is 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCOC(C)C)cc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is LOZLXEVWLZGEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16(2)28-14-4-13-22-21(24)18-7-5-17(6-8-18)15-23-29(25,26)20-11-9-19(27-3)10-12-20/h5-12,16,23H,4,13-15H2,1-3H3,(H,22,24).
What are the key properties of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide?
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 20854193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).