1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide

C23H32N2O4S — CID 43008993

IUPAC1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C23H32N2O4S/c1-15(22-14-17-3-4-20(22)13-17)24-23(27)19-9-11-25(12-10-19)30(28,29)21-7-5-18(6-8-21)16(2)26/h5-8,15,17,19-20,22H,3-4,9-14H2,1-2H3,(H,24,27)
InChIKeyXWPYYKQYKXWLBV-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.23
Rot. Bonds6

About 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide (PubChem CID 43008993) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
PubChem CID43008993
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C23H32N2O4S/c1-15(22-14-17-3-4-20(22)13-17)24-23(27)19-9-11-25(12-10-19)30(28,29)21-7-5-18(6-8-21)16(2)26/h5-8,15,17,19-20,22H,3-4,9-14H2,1-2H3,(H,24,27)
InChIKeyXWPYYKQYKXWLBV-UHFFFAOYSA-N
XLogP3.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 46561024
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
CID 43009333
4-(azepan-1-ylsulfonyl)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzamide
CID 98287722
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55363627
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 98701102
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 98700907
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 98512887
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
1-(4-acetylphenyl)sulfonyl-N-(2-amino-1-cyclopropylethyl)piperidine-4-carboxamide;hydrochloride
CID 119613445
3-(azepan-1-ylsulfonyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 43009008
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 112762584

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide (CID 43008993) is 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C3CC4CCC3C4)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XWPYYKQYKXWLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-15(22-14-17-3-4-20(22)13-17)24-23(27)19-9-11-25(12-10-19)30(28,29)21-7-5-18(6-8-21)16(2)26/h5-8,15,17,19-20,22H,3-4,9-14H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43008993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).