4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

C20H31N3O6S — CID 30855583

IUPAC4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)ccc1OC
InChIInChI=1S/C20H31N3O6S/c1-14(2)20(25)23-10-7-16(8-11-23)22-19(24)15-5-6-17(29-4)18(13-15)30(26,27)21-9-12-28-3/h5-6,13-14,16,21H,7-12H2,1-4H3,(H,22,24)
InChIKeyATMCTJATFDNIOU-UHFFFAOYSA-N
MW441.55 g/mol
LogP1.00
Rot. Bonds9

About 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 30855583) has the molecular formula C20H31N3O6S and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
PubChem CID30855583
Molecular FormulaC20H31N3O6S
Molecular Weight441.55 g/mol
Exact Mass441.19
IUPAC Name4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)ccc1OC
InChIInChI=1S/C20H31N3O6S/c1-14(2)20(25)23-10-7-16(8-11-23)22-19(24)15-5-6-17(29-4)18(13-15)30(26,27)21-9-12-28-3/h5-6,13-14,16,21H,7-12H2,1-4H3,(H,22,24)
InChIKeyATMCTJATFDNIOU-UHFFFAOYSA-N
XLogP1.00
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
CID 55949490
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 55387001
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24560488
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855543
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (CID 30855583) is 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is COCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is ATMCTJATFDNIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6S/c1-14(2)20(25)23-10-7-16(8-11-23)22-19(24)15-5-6-17(29-4)18(13-15)30(26,27)21-9-12-28-3/h5-6,13-14,16,21H,7-12H2,1-4H3,(H,22,24).
What are the key properties of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 441.55 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 30855583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).