1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide

C20H24N2O5S — CID 9482139

IUPAC1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N2O5S/c1-14(19-7-4-12-27-19)21-20(24)16-8-10-22(11-9-16)28(25,26)18-6-3-5-17(13-18)15(2)23/h3-7,12-14,16H,8-11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyCDPPPMGAMDAYRM-CQSZACIVSA-N
MW404.49 g/mol
LogP2.76
Rot. Bonds6

About 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide

1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 9482139) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID9482139
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N2O5S/c1-14(19-7-4-12-27-19)21-20(24)16-8-10-22(11-9-16)28(25,26)18-6-3-5-17(13-18)15(2)23/h3-7,12-14,16H,8-11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyCDPPPMGAMDAYRM-CQSZACIVSA-N
XLogP2.76
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
1-(3-acetylphenyl)sulfonyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 112764001
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
1-(3-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 46561024
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41041561
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 9487220
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202
1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 9091183
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide (CID 9482139) is 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccco3)CC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CDPPPMGAMDAYRM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(19-7-4-12-27-19)21-20(24)16-8-10-22(11-9-16)28(25,26)18-6-3-5-17(13-18)15(2)23/h3-7,12-14,16H,8-11H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9482139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).