2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide

C18H28N2O4S — CID 45375351

IUPAC2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-3-6-13-19-18(21)14-24-16-9-11-17(12-10-16)25(22,23)20-15-7-4-5-8-15/h9-12,15,20H,2-8,13-14H2,1H3,(H,19,21)
InChIKeyIOPKGXVHFOJIKM-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.59
Rot. Bonds10

About 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide (PubChem CID 45375351) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
PubChem CID45375351
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-3-6-13-19-18(21)14-24-16-9-11-17(12-10-16)25(22,23)20-15-7-4-5-8-15/h9-12,15,20H,2-8,13-14H2,1H3,(H,19,21)
InChIKeyIOPKGXVHFOJIKM-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7457741
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
N-[(2-chlorophenyl)methyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374108
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 45374112
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide?
The IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide (CID 45375351) is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide?
The canonical SMILES for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide is CCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide?
The InChIKey is IOPKGXVHFOJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-2-3-6-13-19-18(21)14-24-16-9-11-17(12-10-16)25(22,23)20-15-7-4-5-8-15/h9-12,15,20H,2-8,13-14H2,1H3,(H,19,21).
What are the key properties of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide?
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide has a molecular weight of 368.50 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide is sourced from PubChem (CID 45375351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).