N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C19H21F3N2O4S — CID 56548668

IUPACN-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCOc1ccc(CCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O4S/c1-28-16-9-7-14(8-10-16)4-3-11-23-18(25)13-24-29(26,27)17-6-2-5-15(12-17)19(20,21)22/h2,5-10,12,24H,3-4,11,13H2,1H3,(H,23,25)
InChIKeyJOWJTPUKMUNZAP-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.74
Rot. Bonds9

About N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56548668) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56548668
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCOc1ccc(CCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O4S/c1-28-16-9-7-14(8-10-16)4-3-11-23-18(25)13-24-29(26,27)17-6-2-5-15(12-17)19(20,21)22/h2,5-10,12,24H,3-4,11,13H2,1H3,(H,23,25)
InChIKeyJOWJTPUKMUNZAP-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.74
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-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116
N-[2-(2,6-difluorophenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56549006
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55520288
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
2-[(3-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2445848
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71782074

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56548668) is N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is COc1ccc(CCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is JOWJTPUKMUNZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-28-16-9-7-14(8-10-16)4-3-11-23-18(25)13-24-29(26,27)17-6-2-5-15(12-17)19(20,21)22/h2,5-10,12,24H,3-4,11,13H2,1H3,(H,23,25).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 430.45 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56548668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).