[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone

C24H32N2O4S — CID 52577913

IUPAC[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C24H32N2O4S/c1-16-17(2)19(4)23(20(5)18(16)3)31(28,29)26-13-11-25(12-14-26)24(27)22-10-8-7-9-21(22)15-30-6/h7-10H,11-15H2,1-6H3
InChIKeyUOFDHHQSGSJUIO-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.52
Rot. Bonds5

About [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone

[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 52577913) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID52577913
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C24H32N2O4S/c1-16-17(2)19(4)23(20(5)18(16)3)31(28,29)26-13-11-25(12-14-26)24(27)22-10-8-7-9-21(22)15-30-6/h7-10H,11-15H2,1-6H3
InChIKeyUOFDHHQSGSJUIO-UHFFFAOYSA-N
XLogP3.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

2-(4-bromophenyl)-N-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 166354166
(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27796766
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 78861722
3-(2-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27796787
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 96500622
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 26766046
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
CID 166185301
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 17483441

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 52577913) is [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone is COCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UOFDHHQSGSJUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-16-17(2)19(4)23(20(5)18(16)3)31(28,29)26-13-11-25(12-14-26)24(27)22-10-8-7-9-21(22)15-30-6/h7-10H,11-15H2,1-6H3.
What are the key properties of [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 444.60 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 52577913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).