2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide

C22H26N6O3S — CID 143087621

IUPAC2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)(c3nnn(CC(N)=O)n3)CC2)cc1
InChIInChI=1S/C22H26N6O3S/c1-2-17-8-10-19(11-9-17)32(30,31)27-14-12-22(13-15-27,18-6-4-3-5-7-18)21-24-26-28(25-21)16-20(23)29/h3-11H,2,12-16H2,1H3,(H2,23,29)
InChIKeyQRVKBUXVMDHBMY-UHFFFAOYSA-N
MW454.56 g/mol
LogP1.49
Rot. Bonds7

About 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide

2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide (PubChem CID 143087621) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide
PubChem CID143087621
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)(c3nnn(CC(N)=O)n3)CC2)cc1
InChIInChI=1S/C22H26N6O3S/c1-2-17-8-10-19(11-9-17)32(30,31)27-14-12-22(13-15-27,18-6-4-3-5-7-18)21-24-26-28(25-21)16-20(23)29/h3-11H,2,12-16H2,1H3,(H2,23,29)
InChIKeyQRVKBUXVMDHBMY-UHFFFAOYSA-N
XLogP1.49
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide 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

8-(4-ethylphenyl)sulfonyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029731
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
CID 110366810
8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3379058
(4-methoxycarbonylphenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate
CID 42988286
1-benzhydryl-4-(4-ethylphenyl)sulfonylpiperazin-1-ium
CID 6960382
benzamide;4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carbothioic S-acid
CID 87392865
8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510709
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1-(benzenesulfonyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium
CID 4743473
4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
CID 3030557
ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
CID 3809262
2,4-dibenzyl-8-(4-ethylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 11577002

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide (CID 143087621) is 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide is CCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)(c3nnn(CC(N)=O)n3)CC2)cc1.
What is the InChIKey of 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide?
The InChIKey is QRVKBUXVMDHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-2-17-8-10-19(11-9-17)32(30,31)27-14-12-22(13-15-27,18-6-4-3-5-7-18)21-24-26-28(25-21)16-20(23)29/h3-11H,2,12-16H2,1H3,(H2,23,29).
What are the key properties of 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide?
2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide has a molecular weight of 454.56 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 143087621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).