2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

C24H29NO4S — CID 58144341

IUPAC2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H29NO4S/c1-18(2)30(28,29)17-20-12-14-25(15-13-20)23(26)16-19-8-10-22(11-9-19)24(27)21-6-4-3-5-7-21/h3-11,18,20H,12-17H2,1-2H3
InChIKeyKFUQVYYQWYEDRW-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.52
Rot. Bonds7

About 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (PubChem CID 58144341) has the molecular formula C24H29NO4S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
PubChem CID58144341
Molecular FormulaC24H29NO4S
Molecular Weight427.57 g/mol
Exact Mass427.18
IUPAC Name2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H29NO4S/c1-18(2)30(28,29)17-20-12-14-25(15-13-20)23(26)16-19-8-10-22(11-9-19)24(27)21-6-4-3-5-7-21/h3-11,18,20H,12-17H2,1-2H3
InChIKeyKFUQVYYQWYEDRW-UHFFFAOYSA-N
XLogP3.52
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Benzyl-1-piperidyl)-2-oxo-1-phenyl-ethanesulfonic acid
CID 124115198
1-(4-Biphenylylcarbonyl)-4-(ethylsulfonyl)piperazine
CID 1151587
(4-Phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 1151712
[4-({[4-(Tert-butyl)benzyl]sulfonyl}methyl)-4-hydroxypiperidino][3-(trifluoromethyl)phenyl]methanone
CID 1478131
N-benzyl-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 24237830
9,10,10-trioxo-N,N-dipropylthioxanthene-3-carboxamide
CID 24688033
4-[(benzylsulfonyl)methyl]-N,N-diethylbenzamide
CID 2976684
N-butyl-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 18129737
4-[Cyclopropyl-(4'-methanesulfonylmethyl-biphenyl-4-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 89995615
(4-{[(4-Methylphenyl)sulfonyl]methyl}phenyl)(4-methylpiperidino)methanone
CID 2976785
(2,6-Dimethylpiperidino){4-[(phenylsulfonyl)methyl]phenyl}methanone
CID 6461179
(3E,5E)-3,5-dibenzylidene-1-[3-(2-methoxyethylsulfonyl)propanoyl]piperidin-4-one
CID 127032826

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (CID 58144341) is 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The InChIKey is KFUQVYYQWYEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4S/c1-18(2)30(28,29)17-20-12-14-25(15-13-20)23(26)16-19-8-10-22(11-9-19)24(27)21-6-4-3-5-7-21/h3-11,18,20H,12-17H2,1-2H3.
What are the key properties of 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone has a molecular weight of 427.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58144341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).