N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide

C17H24F3N3O3S — CID 56540688

IUPACN-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3N3O3S/c1-2-10-27(25,26)23-8-6-14(7-9-23)22-16(24)12-21-15-5-3-4-13(11-15)17(18,19)20/h3-5,11,14,21H,2,6-10,12H2,1H3,(H,22,24)
InChIKeyGCOCAFBPFPQVSA-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.44
Rot. Bonds7

About N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56540688) has the molecular formula C17H24F3N3O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56540688
Molecular FormulaC17H24F3N3O3S
Molecular Weight407.46 g/mol
Exact Mass407.15
IUPAC NameN-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3N3O3S/c1-2-10-27(25,26)23-8-6-14(7-9-23)22-16(24)12-21-15-5-3-4-13(11-15)17(18,19)20/h3-5,11,14,21H,2,6-10,12H2,1H3,(H,22,24)
InChIKeyGCOCAFBPFPQVSA-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110343225
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
1-(1-propylsulfonylpiperidin-4-yl)-3-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]urea
CID 166321647
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295
methyl 3-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]benzoate
CID 47040076
4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139265

Frequently Asked Questions

What is the IUPAC name of N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 56540688) is N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide is CCCS(=O)(=O)N1CCC(NC(=O)CNc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is GCOCAFBPFPQVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3S/c1-2-10-27(25,26)23-8-6-14(7-9-23)22-16(24)12-21-15-5-3-4-13(11-15)17(18,19)20/h3-5,11,14,21H,2,6-10,12H2,1H3,(H,22,24).
What are the key properties of N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 407.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56540688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).