N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide

C18H24F3N3O4S — CID 24958593

IUPACN-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)NN1CCCC1
InChIInChI=1S/C18H24F3N3O4S/c19-18(20,21)28-15-5-7-16(8-6-15)29(26,27)24-11-3-4-14(13-24)12-17(25)22-23-9-1-2-10-23/h5-8,14H,1-4,9-13H2,(H,22,25)
InChIKeyZFJFOJSACDLQSY-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.50
Rot. Bonds6

About N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide

N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide (PubChem CID 24958593) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
PubChem CID24958593
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC NameN-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)NN1CCCC1
InChIInChI=1S/C18H24F3N3O4S/c19-18(20,21)28-15-5-7-16(8-6-15)29(26,27)24-11-3-4-14(13-24)12-17(25)22-23-9-1-2-10-23/h5-8,14H,1-4,9-13H2,(H,22,25)
InChIKeyZFJFOJSACDLQSY-UHFFFAOYSA-N
XLogP2.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
N-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 26412918
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(trifluoromethoxy)benzoate
CID 16526287
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433
tert-butyl 3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]piperidine-1-carboxylate
CID 87662575
(Z)-1-cyclopropyl-4-methoxy-4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]but-3-en-2-one
CID 58065358
(1-methylsulfonylpiperidin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55555598
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574
2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylpiperidin-1-yl)acetamide
CID 69169149
cyclopropyl-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55631115

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide?
The IUPAC name of N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide (CID 24958593) is N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide?
The canonical SMILES for N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide is O=C(CC1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)NN1CCCC1.
What is the InChIKey of N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide?
The InChIKey is ZFJFOJSACDLQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O4S/c19-18(20,21)28-15-5-7-16(8-6-15)29(26,27)24-11-3-4-14(13-24)12-17(25)22-23-9-1-2-10-23/h5-8,14H,1-4,9-13H2,(H,22,25).
What are the key properties of N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide?
N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide has a molecular weight of 435.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide is sourced from PubChem (CID 24958593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).