N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

C18H28N2O4S — CID 45374355

IUPACN-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-3-13-19-18(21)14-24-16-9-11-17(12-10-16)25(22,23)20-15-7-5-4-6-8-15/h9-12,15,20H,2-8,13-14H2,1H3,(H,19,21)
InChIKeyUMKJARIOQHXDEW-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.59
Rot. Bonds9

About N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (PubChem CID 45374355) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
PubChem CID45374355
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-3-13-19-18(21)14-24-16-9-11-17(12-10-16)25(22,23)20-15-7-5-4-6-8-15/h9-12,15,20H,2-8,13-14H2,1H3,(H,19,21)
InChIKeyUMKJARIOQHXDEW-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
CID 45375351
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7457741
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1317115
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (CID 45374355) is N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is CCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The InChIKey is UMKJARIOQHXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-2-3-13-19-18(21)14-24-16-9-11-17(12-10-16)25(22,23)20-15-7-5-4-6-8-15/h9-12,15,20H,2-8,13-14H2,1H3,(H,19,21).
What are the key properties of N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 45374355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).