N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide

C21H26N2O4S — CID 55795806

IUPACN-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H26N2O4S/c24-21(18-10-12-20(13-11-18)27-19-8-4-5-9-19)22-14-15-28(25,26)23-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,19,23H,4-5,8-9,14-16H2,(H,22,24)
InChIKeyIRGAXARJDZUIHQ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.86
Rot. Bonds9

About N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide

N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide (PubChem CID 55795806) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide
PubChem CID55795806
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H26N2O4S/c24-21(18-10-12-20(13-11-18)27-19-8-4-5-9-19)22-14-15-28(25,26)23-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,19,23H,4-5,8-9,14-16H2,(H,22,24)
InChIKeyIRGAXARJDZUIHQ-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672900
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate
CID 1192156
4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
CID 86843823
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide (CID 55795806) is N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide is O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide?
The InChIKey is IRGAXARJDZUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-21(18-10-12-20(13-11-18)27-19-8-4-5-9-19)22-14-15-28(25,26)23-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,19,23H,4-5,8-9,14-16H2,(H,22,24).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide?
N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide is sourced from PubChem (CID 55795806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).