4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide

C21H27NO5S — CID 9071230

IUPAC4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C21H27NO5S/c1-4-5-6-7-13-27-19-12-11-16(14-20(19)26-2)21(23)22-17-9-8-10-18(15-17)28(3,24)25/h8-12,14-15H,4-7,13H2,1-3H3,(H,22,23)
InChIKeyFFLHCTBAPQYQFE-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.31
Rot. Bonds10

About 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide

4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 9071230) has the molecular formula C21H27NO5S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
PubChem CID9071230
Molecular FormulaC21H27NO5S
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC Name4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C21H27NO5S/c1-4-5-6-7-13-27-19-12-11-16(14-20(19)26-2)21(23)22-17-9-8-10-18(15-17)28(3,24)25/h8-12,14-15H,4-7,13H2,1-3H3,(H,22,23)
InChIKeyFFLHCTBAPQYQFE-UHFFFAOYSA-N
XLogP4.31
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
N-[3-(hydroxymethyl)phenyl]-4-methoxy-3-tetradecoxybenzamide
CID 10050364
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide
CID 4959421
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9072147
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
CID 10027642
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide (CID 9071230) is 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OC.
What is the InChIKey of 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is FFLHCTBAPQYQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5S/c1-4-5-6-7-13-27-19-12-11-16(14-20(19)26-2)21(23)22-17-9-8-10-18(15-17)28(3,24)25/h8-12,14-15H,4-7,13H2,1-3H3,(H,22,23).
What are the key properties of 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide?
4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 405.52 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 9071230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).