ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate

C22H24N2O5S — CID 29439858

IUPACethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H24N2O5S/c1-2-28-22(25)20-9-14-29-21(20)16-23-10-12-24(13-11-23)30(26,27)19-8-7-17-5-3-4-6-18(17)15-19/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyMQNVZXFQCTYXTI-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate

ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate (PubChem CID 29439858) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate
PubChem CID29439858
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Nameethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H24N2O5S/c1-2-28-22(25)20-9-14-29-21(20)16-23-10-12-24(13-11-23)30(26,27)19-8-7-17-5-3-4-6-18(17)15-19/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyMQNVZXFQCTYXTI-UHFFFAOYSA-N
XLogP3.12
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 29165447
methyl 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-3-carboxylate
CID 31688122
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151729
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
methyl 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151747
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
ethyl N-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 55644361
1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 8692259
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate (CID 29439858) is ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate?
The InChIKey is MQNVZXFQCTYXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-2-28-22(25)20-9-14-29-21(20)16-23-10-12-24(13-11-23)30(26,27)19-8-7-17-5-3-4-6-18(17)15-19/h3-9,14-15H,2,10-13,16H2,1H3.
What are the key properties of ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate?
ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate has a molecular weight of 428.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 29439858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).