1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine

C25H29NO4S2 — CID 24730901

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine
SMILESCOc1ccc(CCN2CCC(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)cc1OC
InChIInChI=1S/C25H29NO4S2/c1-29-23-10-5-19(18-24(23)30-2)11-14-26-15-12-22(13-16-26)32(27,28)21-8-6-20(7-9-21)25-4-3-17-31-25/h3-10,17-18,22H,11-16H2,1-2H3
InChIKeyNUGNHVUPZYMHOA-UHFFFAOYSA-N
MW471.64 g/mol
LogP4.91
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine (PubChem CID 24730901) has the molecular formula C25H29NO4S2 and a molecular weight of 471.64 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine
PubChem CID24730901
Molecular FormulaC25H29NO4S2
Molecular Weight471.64 g/mol
Exact Mass471.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine
SMILESCOc1ccc(CCN2CCC(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)cc1OC
InChIInChI=1S/C25H29NO4S2/c1-29-23-10-5-19(18-24(23)30-2)11-14-26-15-12-22(13-16-26)32(27,28)21-8-6-20(7-9-21)25-4-3-17-31-25/h3-10,17-18,22H,11-16H2,1-2H3
InChIKeyNUGNHVUPZYMHOA-UHFFFAOYSA-N
XLogP4.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine 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

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 90589610
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580
N,N-dimethyl-4-[2-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]ethyl]aniline
CID 24730862
4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride
CID 141036953
[1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-yl] methanesulfonate
CID 54171177
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552431
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]isoindole-1,3-dione
CID 15045352
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034554
1-butylsulfonyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 113074549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine (CID 24730901) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine is COc1ccc(CCN2CCC(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine?
The InChIKey is NUGNHVUPZYMHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4S2/c1-29-23-10-5-19(18-24(23)30-2)11-14-26-15-12-22(13-16-26)32(27,28)21-8-6-20(7-9-21)25-4-3-17-31-25/h3-10,17-18,22H,11-16H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine has a molecular weight of 471.64 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 24730901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).