N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

C23H24N2O5S — CID 24504263

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-6-12-22(13-7-17)31(27,28)25-19-5-3-4-18(16-19)23(26)24-14-15-30-21-10-8-20(29-2)9-11-21/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyXUGGIQHDDYABIQ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.61
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 24504263) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID24504263
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-6-12-22(13-7-17)31(27,28)25-19-5-3-4-18(16-19)23(26)24-14-15-30-21-10-8-20(29-2)9-11-21/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyXUGGIQHDDYABIQ-UHFFFAOYSA-N
XLogP3.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.61
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

N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 24504263) is N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XUGGIQHDDYABIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-17-6-12-22(13-7-17)31(27,28)25-19-5-3-4-18(16-19)23(26)24-14-15-30-21-10-8-20(29-2)9-11-21/h3-13,16,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 440.52 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24504263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).