2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C25H34N2O4S — CID 4942049

IUPAC2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C25H34N2O4S/c1-3-4-5-8-19-31-24-10-7-6-9-23(24)25(28)26-21-11-13-22(14-12-21)32(29,30)27-17-15-20(2)16-18-27/h6-7,9-14,20H,3-5,8,15-19H2,1-2H3,(H,26,28)
InChIKeyJMTKBTJKVJOMRT-UHFFFAOYSA-N
MW458.62 g/mol
LogP5.32
Rot. Bonds10

About 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 4942049) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID4942049
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C25H34N2O4S/c1-3-4-5-8-19-31-24-10-7-6-9-23(24)25(28)26-21-11-13-22(14-12-21)32(29,30)27-17-15-20(2)16-18-27/h6-7,9-14,20H,3-5,8,15-19H2,1-2H3,(H,26,28)
InChIKeyJMTKBTJKVJOMRT-UHFFFAOYSA-N
XLogP5.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.62
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
5-bromo-2-butoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17349990
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17122717
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 17122736
5-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-phenylethoxy)benzamide
CID 17046134
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-pentoxybenzamide
CID 4947253

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 4942049) is 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is JMTKBTJKVJOMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-3-4-5-8-19-31-24-10-7-6-9-23(24)25(28)26-21-11-13-22(14-12-21)32(29,30)27-17-15-20(2)16-18-27/h6-7,9-14,20H,3-5,8,15-19H2,1-2H3,(H,26,28).
What are the key properties of 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 458.62 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 4942049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).