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

C15H17F3N2O3S — CID 4788234

IUPACN-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3S/c1-2-8-20(10-14(21)19-12-6-7-12)24(22,23)13-5-3-4-11(9-13)15(16,17)18/h2-5,9,12H,1,6-8,10H2,(H,19,21)
InChIKeyQMYDXTZGQOITJL-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.16
Rot. Bonds7

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

N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 4788234) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID4788234
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3S/c1-2-8-20(10-14(21)19-12-6-7-12)24(22,23)13-5-3-4-11(9-13)15(16,17)18/h2-5,9,12H,1,6-8,10H2,(H,19,21)
InChIKeyQMYDXTZGQOITJL-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.16
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~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
N-(1,1-dioxothiolan-3-yl)-2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5008392
N1-cyclopropyl-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 18574840
N-cyclopropyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 934846
4-[2-(Trifluoromethyl)phenyl]sulfonylpiperazin-2-one
CID 2564144
N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 2738671
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
N-cyclopropyl-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 3524247

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 4788234) is N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is C=CCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is QMYDXTZGQOITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-2-8-20(10-14(21)19-12-6-7-12)24(22,23)13-5-3-4-11(9-13)15(16,17)18/h2-5,9,12H,1,6-8,10H2,(H,19,21).
What are the key properties of N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 362.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 4788234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).