[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H24N2O4S — CID 58211537

IUPAC[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-9-11-22(12-10-15)20(23)19-8-3-5-16(21-19)14-27(24,25)18-7-4-6-17(13-18)26-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXZSSKDGWNRUYQO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.94
Rot. Bonds5

About [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 58211537) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID58211537
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-9-11-22(12-10-15)20(23)19-8-3-5-16(21-19)14-27(24,25)18-7-4-6-17(13-18)26-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXZSSKDGWNRUYQO-UHFFFAOYSA-N
XLogP2.94
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methoxyphenyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903815
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 58211070
4-[(3-methoxyphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664542
[6-[(3,5-dimethylcyclohexyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211721
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211273
[6-(methoxymethyl)-2-pyridinyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 74235529
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
azepan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 58211013
N-(2-methoxyethyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095409
6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182748

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 58211537) is [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COc1cccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c1.
What is the InChIKey of [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XZSSKDGWNRUYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-9-11-22(12-10-15)20(23)19-8-3-5-16(21-19)14-27(24,25)18-7-4-6-17(13-18)26-2/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 388.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).