N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide

C25H36N2O2S — CID 51353457

IUPACN-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCN2CCCCC2CC)Cc2ccccc2)cc1
InChIInChI=1S/C25H36N2O2S/c1-3-10-22-14-16-25(17-15-22)30(28,29)27(21-23-11-6-5-7-12-23)20-19-26-18-9-8-13-24(26)4-2/h5-7,11-12,14-17,24H,3-4,8-10,13,18-21H2,1-2H3
InChIKeyPNJYUSQFIBIKAK-UHFFFAOYSA-N
MW428.64 g/mol
LogP5.09
Rot. Bonds10

About N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide

N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide (PubChem CID 51353457) has the molecular formula C25H36N2O2S and a molecular weight of 428.64 g/mol. Its IUPAC name is N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide
PubChem CID51353457
Molecular FormulaC25H36N2O2S
Molecular Weight428.64 g/mol
Exact Mass428.25
IUPAC NameN-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCN2CCCCC2CC)Cc2ccccc2)cc1
InChIInChI=1S/C25H36N2O2S/c1-3-10-22-14-16-25(17-15-22)30(28,29)27(21-23-11-6-5-7-12-23)20-19-26-18-9-8-13-24(26)4-2/h5-7,11-12,14-17,24H,3-4,8-10,13,18-21H2,1-2H3
InChIKeyPNJYUSQFIBIKAK-UHFFFAOYSA-N
XLogP5.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.64
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 276460
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CID 711024
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
1-(4-Methylbenzenesulfonyl)-2-phenylaziridine
CID 576319
4-[2-[4-[(4-Methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
CID 157010568
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexyl-piperazine
CID 15392110
1-Cyclohexyl-4-{1-[4-(toluene-4-sulfonyl)-phenyl]-ethyl}-piperazine
CID 44312083
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide (CID 51353457) is N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CCN2CCCCC2CC)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide?
The InChIKey is PNJYUSQFIBIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2S/c1-3-10-22-14-16-25(17-15-22)30(28,29)27(21-23-11-6-5-7-12-23)20-19-26-18-9-8-13-24(26)4-2/h5-7,11-12,14-17,24H,3-4,8-10,13,18-21H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide?
N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide has a molecular weight of 428.64 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 51353457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).