[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone

C21H25NO4S — CID 110394645

IUPAC[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)c3ccc(C)cc3)C2)cc1C
InChIInChI=1S/C21H25NO4S/c1-15-6-8-17(9-7-15)21(23)18-5-4-12-22(14-18)27(24,25)19-10-11-20(26-3)16(2)13-19/h6-11,13,18H,4-5,12,14H2,1-3H3
InChIKeyRZRWSPXAHZSYLI-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.60
Rot. Bonds5

About [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone

[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone (PubChem CID 110394645) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
PubChem CID110394645
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)c3ccc(C)cc3)C2)cc1C
InChIInChI=1S/C21H25NO4S/c1-15-6-8-17(9-7-15)21(23)18-5-4-12-22(14-18)27(24,25)19-10-11-20(26-3)16(2)13-19/h6-11,13,18H,4-5,12,14H2,1-3H3
InChIKeyRZRWSPXAHZSYLI-UHFFFAOYSA-N
XLogP3.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
[(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6978140
N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3894563
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3931290
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
(3S)-N-(2-methoxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302550
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313
ethyl 4-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 41302627
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302602

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone (CID 110394645) is [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone is COc1ccc(S(=O)(=O)N2CCCC(C(=O)c3ccc(C)cc3)C2)cc1C.
What is the InChIKey of [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone?
The InChIKey is RZRWSPXAHZSYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-15-6-8-17(9-7-15)21(23)18-5-4-12-22(14-18)27(24,25)19-10-11-20(26-3)16(2)13-19/h6-11,13,18H,4-5,12,14H2,1-3H3.
What are the key properties of [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone?
[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone has a molecular weight of 387.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110394645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).