4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide

C20H25N3O4S — CID 9271299

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-18-10-8-17(9-11-18)22-28(25,26)19-12-6-16(7-13-19)20(24)21-23-14-4-3-5-15-23/h6-13,22H,2-5,14-15H2,1H3,(H,21,24)
InChIKeyLGNMKKVIRDYLMU-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.02
Rot. Bonds7

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide (PubChem CID 9271299) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
PubChem CID9271299
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-18-10-8-17(9-11-18)22-28(25,26)19-12-6-16(7-13-19)20(24)21-23-14-4-3-5-15-23/h6-13,22H,2-5,14-15H2,1H3,(H,21,24)
InChIKeyLGNMKKVIRDYLMU-UHFFFAOYSA-N
XLogP3.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55854015
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55946709
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55945183
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide (CID 9271299) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide?
The InChIKey is LGNMKKVIRDYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-27-18-10-8-17(9-11-18)22-28(25,26)19-12-6-16(7-13-19)20(24)21-23-14-4-3-5-15-23/h6-13,22H,2-5,14-15H2,1H3,(H,21,24).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 9271299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).