N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C20H23F3N2O5S — CID 24552441

IUPACN-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCCCOc1ccccc1
InChIInChI=1S/C20H23F3N2O5S/c21-20(22,23)30-17-8-10-18(11-9-17)31(27,28)25-14-12-19(26)24-13-4-5-15-29-16-6-2-1-3-7-16/h1-3,6-11,25H,4-5,12-15H2,(H,24,26)
InChIKeyAVXZSNXMORAFAL-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.23
Rot. Bonds12

About N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 24552441) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID24552441
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC NameN-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCCCOc1ccccc1
InChIInChI=1S/C20H23F3N2O5S/c21-20(22,23)30-17-8-10-18(11-9-17)31(27,28)25-14-12-19(26)24-13-4-5-15-29-16-6-2-1-3-7-16/h1-3,6-11,25H,4-5,12-15H2,(H,24,26)
InChIKeyAVXZSNXMORAFAL-UHFFFAOYSA-N
XLogP3.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 4963811
3-[(4-Phenoxyphenyl)sulfonylamino]propylcarbamoylphosphonic acid
CID 46866645
1-[4-Phenoxybenzenesulfonamido]-4-[phosphonoformamido]butane
CID 46866646
N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]propanamide
CID 54352406
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3235859
4-methoxy-N-{[1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 23723550
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 24979967
1-(4-Methoxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 1587283
4-(4-Ethoxyphenyl)sulfonylpiperazin-2-one
CID 2525137

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 24552441) is N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCCCOc1ccccc1.
What is the InChIKey of N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is AVXZSNXMORAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c21-20(22,23)30-17-8-10-18(11-9-17)31(27,28)25-14-12-19(26)24-13-4-5-15-29-16-6-2-1-3-7-16/h1-3,6-11,25H,4-5,12-15H2,(H,24,26).
What are the key properties of N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 460.47 g/mol, XLogP of 3.23, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxybutyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 24552441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).