N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C18H19F3N2O4S — CID 78768135

IUPACN-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H19F3N2O4S/c19-18(20,21)27-15-8-10-16(11-9-15)28(25,26)23-13-17(24)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,23H,4,7,12-13H2,(H,22,24)
InChIKeyQTQCPCOPPUINMH-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.61
Rot. Bonds9

About N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 78768135) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID78768135
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H19F3N2O4S/c19-18(20,21)27-15-8-10-16(11-9-15)28(25,26)23-13-17(24)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,23H,4,7,12-13H2,(H,22,24)
InChIKeyQTQCPCOPPUINMH-UHFFFAOYSA-N
XLogP2.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.61
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-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78781618
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548668
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
N-(1-benzylpyrazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55947329
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 23603157
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 78768135) is N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is QTQCPCOPPUINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c19-18(20,21)27-15-8-10-16(11-9-15)28(25,26)23-13-17(24)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,23H,4,7,12-13H2,(H,22,24).
What are the key properties of N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 416.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 78768135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).