N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C19H19F3N2O3S — CID 56545974

IUPACN-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3S/c1-2-11-24(14-15-7-4-3-5-8-15)18(25)13-23-28(26,27)17-10-6-9-16(12-17)19(20,21)22/h2-10,12,23H,1,11,13-14H2
InChIKeyDRIDCNWDKITKBS-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.20
Rot. Bonds8

About N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56545974) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56545974
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3S/c1-2-11-24(14-15-7-4-3-5-8-15)18(25)13-23-28(26,27)17-10-6-9-16(12-17)19(20,21)22/h2-10,12,23H,1,11,13-14H2
InChIKeyDRIDCNWDKITKBS-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55360429
N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-benzyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649751
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55416151
3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60603031
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
2-[butan-2-yl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetic acid
CID 119954511
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545933
3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773
N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548694
methyl 3-[2-methylpropyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanoate
CID 56549141

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56545974) is N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is C=CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is DRIDCNWDKITKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-2-11-24(14-15-7-4-3-5-8-15)18(25)13-23-28(26,27)17-10-6-9-16(12-17)19(20,21)22/h2-10,12,23H,1,11,13-14H2.
What are the key properties of N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 412.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56545974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).