1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide

C22H25FN2O4S — CID 108804458

IUPAC1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4S/c1-16(26)25-13-11-18(12-14-25)22(27)24-15-21(17-5-3-2-4-6-17)30(28,29)20-9-7-19(23)8-10-20/h2-10,18,21H,11-15H2,1H3,(H,24,27)
InChIKeyZKXZOFVMAICJQL-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.72
Rot. Bonds6

About 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide (PubChem CID 108804458) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
PubChem CID108804458
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4S/c1-16(26)25-13-11-18(12-14-25)22(27)24-15-21(17-5-3-2-4-6-17)30(28,29)20-9-7-19(23)8-10-20/h2-10,18,21H,11-15H2,1H3,(H,24,27)
InChIKeyZKXZOFVMAICJQL-UHFFFAOYSA-N
XLogP2.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84564652
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 9159292
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 9153281
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
CID 110633347

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide (CID 108804458) is 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide?
The InChIKey is ZKXZOFVMAICJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-16(26)25-13-11-18(12-14-25)22(27)24-15-21(17-5-3-2-4-6-17)30(28,29)20-9-7-19(23)8-10-20/h2-10,18,21H,11-15H2,1H3,(H,24,27).
What are the key properties of 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 108804458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).