1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

C24H28N2O4S — CID 1150416

IUPAC1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESCCOc1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1OC
InChIInChI=1S/C24H28N2O4S/c1-3-30-24-16-19(8-11-23(24)29-2)18-25-12-14-26(15-13-25)31(27,28)22-10-9-20-6-4-5-7-21(20)17-22/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyPDYFJPCEQNLQFE-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.75
Rot. Bonds7

About 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 1150416) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID1150416
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESCCOc1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1OC
InChIInChI=1S/C24H28N2O4S/c1-3-30-24-16-19(8-11-23(24)29-2)18-25-12-14-26(15-13-25)31(27,28)22-10-9-20-6-4-5-7-21(20)17-22/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyPDYFJPCEQNLQFE-UHFFFAOYSA-N
XLogP3.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1150334
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 16593438
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 6734614
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4756057
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (CID 1150416) is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is CCOc1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is PDYFJPCEQNLQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-3-30-24-16-19(8-11-23(24)29-2)18-25-12-14-26(15-13-25)31(27,28)22-10-9-20-6-4-5-7-21(20)17-22/h4-11,16-17H,3,12-15,18H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 440.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1150416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).