1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone

C24H25NO4S — CID 90591931

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H25NO4S/c1-29-20-9-11-21(12-10-20)30(27,28)22-13-15-25(16-14-22)24(26)17-19-7-4-6-18-5-2-3-8-23(18)19/h2-12,22H,13-17H2,1H3
InChIKeyDHBVBJYUKPYYSH-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.86
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone

1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 90591931) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID90591931
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H25NO4S/c1-29-20-9-11-21(12-10-20)30(27,28)22-13-15-25(16-14-22)24(26)17-19-7-4-6-18-5-2-3-8-23(18)19/h2-12,22H,13-17H2,1H3
InChIKeyDHBVBJYUKPYYSH-UHFFFAOYSA-N
XLogP3.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]ethanone
CID 90591901
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 90591858
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
4,4,4-trifluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591882
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90591930
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90589590
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone (CID 90591931) is 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is DHBVBJYUKPYYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-29-20-9-11-21(12-10-20)30(27,28)22-13-15-25(16-14-22)24(26)17-19-7-4-6-18-5-2-3-8-23(18)19/h2-12,22H,13-17H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone?
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 423.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 90591931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).