1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

C25H30N2O3S — CID 91669820

IUPAC1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c2ccccc12
InChIInChI=1S/C25H30N2O3S/c1-5-30-23-10-11-24(22-9-7-6-8-21(22)23)31(28,29)27-14-12-26(13-15-27)25-19(3)16-18(2)17-20(25)4/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyGRTPMHPKFCVGNC-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.67
Rot. Bonds5

About 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (PubChem CID 91669820) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
PubChem CID91669820
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c2ccccc12
InChIInChI=1S/C25H30N2O3S/c1-5-30-23-10-11-24(22-9-7-6-8-21(22)23)31(28,29)27-14-12-26(13-15-27)25-19(3)16-18(2)17-20(25)4/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyGRTPMHPKFCVGNC-UHFFFAOYSA-N
XLogP4.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975042
1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 100671510
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821
8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
CID 15991639
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1295231
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807
[1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777569
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindole
CID 2956327
2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol
CID 16644919
1-[4-(4-pentoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanone
CID 16645251
(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
CID 748027

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (CID 91669820) is 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is CCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c2ccccc12.
What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The InChIKey is GRTPMHPKFCVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-5-30-23-10-11-24(22-9-7-6-8-21(22)23)31(28,29)27-14-12-26(13-15-27)25-19(3)16-18(2)17-20(25)4/h6-11,16-17H,5,12-15H2,1-4H3.
What are the key properties of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine has a molecular weight of 438.59 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is sourced from PubChem (CID 91669820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).